Repository: pyQms/pyqms (language: python)

Issue:
enable CD



Discussion / hints:

Fix patch:
diff --git a/.github/workflows/cd.yaml b/.github/workflows/cd.yaml
new file mode 100644
index 0000000..9c4e715
--- /dev/null
+++ b/.github/workflows/cd.yaml
@@ -0,0 +1,17 @@
+on:
+  create:
+    tags:
+      - v*
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+      - uses: casperdcl/deploy-pypi@v2
+        with:
+          password: ${{ secrets.PROD_PYPI }}
+          requirements: twine wheel
+          pip: wheel -w dist/ --no-deps .
+          # only upload if a tag is pushed (otherwise just build & check)
+          upload: ${{ github.event_name == 'create' && startsWith(github.event.ref, 'v') }}
diff --git a/.github/workflows/tox-ci.yml b/.github/workflows/tox-ci.yml
new file mode 100644
index 0000000..ebf2012
--- /dev/null
+++ b/.github/workflows/tox-ci.yml
@@ -0,0 +1,33 @@
+name: Continious Integration
+
+on: [pull_request]
+
+jobs:
+  black:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - name: Run black
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.8
+      - name: install black
+        run: pip install black
+      - name: run black
+        run: black --line-length 89 --check .
+
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python: [3.7, 3.8, 3.9]
+    steps:
+      - uses: actions/checkout@v2
+      - name: Setup Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: ${{ matrix.python }}
+      - name: install tox
+        run: pip install tox
+      - name: Tox
+        run: tox -e py
diff --git a/docs/parse_example_scripts.py b/docs/parse_example_scripts.py
index f0fd321..3462eba 100755
--- a/docs/parse_example_scripts.py
+++ b/docs/parse_example_scripts.py
@@ -4,20 +4,22 @@
 import glob
 import os
 
-if __name__ == '__main__':
-    print('''
+if __name__ == "__main__":
+    print(
+        """
         Formatting example scripts into rst files for the docs
-''')
+"""
+    )
     # input()
-    for example_script in glob.glob('../example_scripts/*.py'):
+    for example_script in glob.glob("../example_scripts/*.py"):
         if os.path.exists(example_script) is False:
             continue
-        basename= os.path.basename(example_script)
-        print('Reading: {0}'.format(example_script))
-        with open('source/code_inc/{0}'.format(basename.replace('.py','.inc')), 'w') as o:
-            print('''.. code-block:: python\n''', file=o)
-            with open( example_script ) as infile:
+        basename = os.path.basename(example_script)
+        print("Reading: {0}".format(example_script))
+        with open(
+            "source/code_inc/{0}".format(basename.replace(".py", ".inc")), "w"
+        ) as o:
+            print(""".. code-block:: python\n""", file=o)
+            with open(example_script) as infile:
                 for line in infile:
-                    print('\t{0}'.format( line.rstrip()), file=o)
-
-
+                    print("\t{0}".format(line.rstrip()), file=o)
diff --git a/docs/parse_params_for_docu.py b/docs/parse_params_for_docu.py
index a7905cb..d7a1d5c 100755
--- a/docs/parse_params_for_docu.py
+++ b/docs/parse_params_for_docu.py
@@ -3,18 +3,22 @@
 
 import glob
 import os
+
 # import pyqms.params
 import pyqms
 from pyqms.params import params_descriptions as params_descriptions
 import pprint
-if __name__ == '__main__':
-    print('''
+
+if __name__ == "__main__":
+    print(
+        """
         Formatting params into rst files for the docs
-''')
+"""
+    )
 
-    with open('source/params.rst', 'w') as o:
+    with open("source/params.rst", "w") as o:
         print(
-'''
+            """
 .. params:
 
 .. default-domain:: py
@@ -33,30 +37,30 @@
     parameter files!
 
 
-'''     ,
-        file = o
+""",
+            file=o,
         )
 
-        print('''.. code-block:: python\n''', file=o)
-        print('>>> params = {', file=o)
+        print(""".. code-block:: python\n""", file=o)
+        print(">>> params = {", file=o)
         for pos, (k, v) in enumerate(sorted(pyqms.params.items())):
-            print("\t'{0}'' : {1},".format(k,v),file=o)
-        print('}',file=o)
+            print("\t'{0}'' : {1},".format(k, v), file=o)
+        print("}", file=o)
 
         print(
-'''
+            """
 
 Descriptions
 ============
 
-'''     ,
-        file=o
+""",
+            file=o,
         )
         for params_class in params_descriptions.keys():
-#             print("""
-# {0}
-# {1}
-#                 """.format(params_class,'-' * (len(params_class) + 1)),file=o)
+            #             print("""
+            # {0}
+            # {1}
+            #                 """.format(params_class,'-' * (len(params_class) + 1)),file=o)
             for v in params_descriptions[params_class]:
                 print(
                     """
@@ -67,12 +71,10 @@
 
 Default value: {3}
                     """.format(
-                        v['key'],
-                        '"' * (len(v['key']) + 1),
-                        v['description'],
-                        v['default']
+                        v["key"],
+                        '"' * (len(v["key"]) + 1),
+                        v["description"],
+                        v["default"],
                     ),
-                    file=o)
-
-
-
+                    file=o,
+                )
diff --git a/docs/source/chemical_composition.rst b/docs/source/chemical_composition.rst
index 1323663..fff80a8 100644
--- a/docs/source/chemical_composition.rst
+++ b/docs/source/chemical_composition.rst
@@ -6,6 +6,6 @@
 Chemical composition
 ####################
 
-.. autoclass:: pyqms.ChemicalComposition
+.. autoclass:: ChemicalComposition
    :members:
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index aef3cf0..3b1483d 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -19,62 +19,62 @@
 # If extensions (or modules to document with autodoc) are in another directory,
 # add these directories to sys.path here. If the directory is relative to the
 # documentation root, use os.path.abspath to make it absolute, like shown here.
-sys.path.insert(0, os.path.abspath('../../pyqms/'))
-sys.path.insert(0, os.path.abspath('../../example_scripts/'))
-sys.path.insert(0, os.path.abspath('../../tests/'))
+sys.path.insert(0, os.path.abspath("../../pyqms/"))
+sys.path.insert(0, os.path.abspath("../../example_scripts/"))
+sys.path.insert(0, os.path.abspath("../../tests/"))
 
 # -- General configuration ------------------------------------------------
 
 # If your documentation needs a minimal Sphinx version, state it here.
-#needs_sphinx = '1.0'
+# needs_sphinx = '1.0'
 
 # Add any Sphinx extension module names here, as strings. They can be
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = [
-    'sphinx.ext.autodoc',
-    'sphinx.ext.napoleon',
-    'sphinx.ext.coverage',
-    'sphinx.ext.mathjax',
+    "sphinx.ext.autodoc",
+    "sphinx.ext.napoleon",
+    "sphinx.ext.coverage",
+    "sphinx.ext.mathjax",
 ]
 
 
 # mathjax_path = "MathJax/MathJax.js?config=TeX-AMS-MML_HTMLorMML"
 
 # Add any paths that contain templates here, relative to this directory.
-templates_path = ['_templates']
+templates_path = ["_templates"]
 
 # The suffix of source filenames.
-source_suffix = '.rst'
+source_suffix = ".rst"
 
 # The encoding of source files.
-#source_encoding = 'utf-8-sig'
+# source_encoding = 'utf-8-sig'
 
 # The master toctree document.
-master_doc = 'index'
+master_doc = "index"
 
 # General information about the project.
-project = 'pyQms'
-copyright = '2017, Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan'
+project = "pyQms"
+copyright = "2017, Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan"
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
 # built documents.
 #
 # The short X.Y version.
-version = '0.5'
+version = "0.5"
 # The full version, including alpha/beta/rc tags.
-release = '0.5.0-beta'
+release = "0.5.0-beta"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
-#language = None
+# language = None
 
 # There are two options for replacing |today|: either, you set today to some
 # non-false value, then it is used:
-#today = ''
+# today = ''
 # Else, today_fmt is used as the format for a strftime call.
-#today_fmt = '%B %d, %Y'
+# today_fmt = '%B %d, %Y'
 
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
@@ -82,27 +82,27 @@
 
 # The reST default role (used for this markup: `text`) to use for all
 # documents.
-#default_role = None
+# default_role = None
 
 # If true, '()' will be appended to :func: etc. cross-reference text.
-#add_function_parentheses = True
+# add_function_parentheses = True
 
 # If true, the current module name will be prepended to all description
 # unit titles (such as .. function::).
-#add_module_names = True
+# add_module_names = True
 
 # If true, sectionauthor and moduleauthor directives will be shown in the
 # output. They are ignored by default.
-#show_authors = False
+# show_authors = False
 
 # The name of the Pygments (syntax highlighting) style to use.
-pygments_style = 'sphinx'
+pygments_style = "sphinx"
 
 # A list of ignored prefixes for module index sorting.
-#modindex_common_prefix = []
+# modindex_common_prefix = []
 
 # If true, keep warnings as "system message" paragraphs in the built documents.
-#keep_warnings = False
+# keep_warnings = False
 
 
 # -- Options for HTML output ----------------------------------------------
@@ -110,110 +110,113 @@
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 
-on_rtd = os.environ.get('READTHEDOCS', None) == 'True'
+on_rtd = os.environ.get("READTHEDOCS", None) == "True"
 if on_rtd:
-    html_theme = 'default'
+    html_theme = "default"
 else:
-    html_theme = 'sphinx_rtd_theme'
+    html_theme = "sphinx_rtd_theme"
 
 # Theme options are theme-specific and customize the look and feel of a theme
 # further.  For a list of options available for each theme, see the
 # documentation.
-#html_theme_options = {}
+# html_theme_options = {}
 
 # Add any paths that contain custom themes here, relative to this directory.
-#html_theme_path = []
+# html_theme_path = []
 
 # The name for this set of Sphinx documents.  If None, it defaults to
 # "<project> v<release> documentation".
-#html_title = None
+# html_title = None
 
 # A shorter title for the navigation bar.  Default is the same as html_title.
-#html_short_title = None
+# html_short_title = None
 
 # The name of an image file (relative to this directory) to place at the top
 # of the sidebar.
-#html_logo = None
+# html_logo = None
 
 # The name of an image file (within the static path) to use as favicon of the
 # docs.  This file should be a Windows icon file (.ico) being 16x16 or 32x32
 # pixels large.
-#html_favicon = None
+# html_favicon = None
 
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
+html_static_path = ["_static"]
 
 # Add any extra paths that contain custom files (such as robots.txt or
 # .htaccess) here, relative to this directory. These files are copied
 # directly to the root of the documentation.
-#html_extra_path = []
+# html_extra_path = []
 
 # If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
 # using the given strftime format.
-#html_last_updated_fmt = '%b %d, %Y'
+# html_last_updated_fmt = '%b %d, %Y'
 
 # If true, SmartyPants will be used to convert quotes and dashes to
 # typographically correct entities.
-#html_use_smartypants = True
+# html_use_smartypants = True
 
 # Custom sidebar templates, maps document names to template names.
-#html_sidebars = {}
+# html_sidebars = {}
 
 # Additional templates that should be rendered to pages, maps page names to
 # template names.
-#html_additional_pages = {}
+# html_additional_pages = {}
 
 # If false, no module index is generated.
-#html_domain_indices = True
+# html_domain_indices = True
 
 # If false, no index is generated.
-#html_use_index = True
+# html_use_index = True
 
 # If true, the index is split into individual pages for each letter.
-#html_split_index = False
+# html_split_index = False
 
 # If true, links to the reST sources are added to the pages.
-#html_show_sourcelink = True
+# html_show_sourcelink = True
 
 # If true, "Created using Sphinx" is shown in the HTML footer. Default is True.
-#html_show_sphinx = True
+# html_show_sphinx = True
 
 # If true, "(C) Copyright ..." is shown in the HTML footer. Default is True.
-#html_show_copyright = True
+# html_show_copyright = True
 
 # If true, an OpenSearch description file will be output, and all pages will
 # contain a <link> tag referring to it.  The value of this option must be the
 # base URL from which the finished HTML is served.
-#html_use_opensearch = ''
+# html_use_opensearch = ''
 
 # This is the file name suffix for HTML files (e.g. ".xhtml").
-#html_file_suffix = None
+# html_file_suffix = None
 
 # Output file base name for HTML help builder.
-htmlhelp_basename = 'pyQmsdoc'
+htmlhelp_basename = "pyQmsdoc"
 
 
 # -- Options for LaTeX output ---------------------------------------------
 
 latex_elements = {
-# The paper size ('letterpaper' or 'a4paper').
-#'papersize': 'letterpaper',
-
-# The font size ('10pt', '11pt' or '12pt').
-#'pointsize': '10pt',
-
-# Additional stuff for the LaTeX preamble.
-# 'preamble': 'Generalizing mass spectrometry data quantification in a transparent and cross platform way.',
+    # The paper size ('letterpaper' or 'a4paper').
+    #'papersize': 'letterpaper',
+    # The font size ('10pt', '11pt' or '12pt').
+    #'pointsize': '10pt',
+    # Additional stuff for the LaTeX preamble.
+    # 'preamble': 'Generalizing mass spectrometry data quantification in a transparent and cross platform way.',
 }
 
 # Grouping the document tree into LaTeX files. List of tuples
 # (source start file, target name, title,
 #  author, documentclass [howto, manual, or own class]).
 latex_documents = [
-  ('index', 'pyQms.tex', 'pyQms Documentation',
-   'Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan', 'manual'),
+    (
+        "index",
+        "pyQms.tex",
+        "pyQms Documentation",
+        "Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan",
+        "manual",
+    )
 ]
 
 # The name of an image file (relative to this directory) to place at the top of
@@ -234,7 +237,7 @@
 # latex_appendices = []
 
 # If false, no module index is generated.
-#latex_domain_indices = True
+# latex_domain_indices = True
 
 
 # -- Options for manual page output ---------------------------------------
@@ -242,12 +245,19 @@
 # One entry per manual page. List of tuples
 # (source start file, name, description, authors, manual section).
 man_pages = [
-    ('index', 'pyqms', 'pyQms Documentation',
-     ['Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan'], 1)
+    (
+        "index",
+        "pyqms",
+        "pyQms Documentation",
+        [
+            "Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan"
+        ],
+        1,
+    )
 ]
 
 # If true, show URL addresses after external links.
-#man_show_urls = False
+# man_show_urls = False
 
 
 # -- Options for Texinfo output -------------------------------------------
@@ -256,20 +266,25 @@
 # (source start file, target name, title, author,
 #  dir menu entry, description, category)
 texinfo_documents = [
-  ('index', 'pyQms', 'pyQms Documentation',
-   'Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan', 'pyQms', 'One line description of project.',
-   'Miscellaneous'),
+    (
+        "index",
+        "pyQms",
+        "pyQms Documentation",
+        "Johannes Leufken, Anna Niehues, L. Peter Sarin, Michael Hippler, Sebastian A. Leidel and Christian Fufezan",
+        "pyQms",
+        "One line description of project.",
+        "Miscellaneous",
+    )
 ]
 
 # Documents to append as an appendix to all manuals.
-#texinfo_appendices = []
+# texinfo_appendices = []
 
 # If false, no module index is generated.
-#texinfo_domain_indices = True
+# texinfo_domain_indices = True
 
 # How to display URL addresses: 'footnote', 'no', or 'inline'.
-#texinfo_show_urls = 'footnote'
+# texinfo_show_urls = 'footnote'
 
 # If true, do not generate a @detailmenu in the "Top" node's menu.
-#texinfo_no_detailmenu = False
-
+# texinfo_no_detailmenu = False
diff --git a/example_scripts/complete_BSA_quantification.py b/example_scripts/complete_BSA_quantification.py
index 5032b1c..7c46ceb 100755
--- a/example_scripts/complete_BSA_quantification.py
+++ b/example_scripts/complete_BSA_quantification.py
@@ -78,7 +78,11 @@ def main(ident_file=None, mzml_file=None):
         evidence_score_field = "PEP"
 
     print('Evidence score field "{0}" will be used.'.format(evidence_score_field))
-    formatted_fixed_labels, evidence_lookup, molecule_list = pyqms.adaptors.parse_evidence(
+    (
+        formatted_fixed_labels,
+        evidence_lookup,
+        molecule_list,
+    ) = pyqms.adaptors.parse_evidence(
         fixed_labels=tmp_fixed_labels,
         evidence_files=[ident_file],
         evidence_score_field=evidence_score_field,
@@ -101,6 +105,7 @@ def main(ident_file=None, mzml_file=None):
     results = None
     for spectrum in run:
         spec_id = spectrum["id"]
+
         try:
             # pymzML 2.0.0 style
             scan_time = spectrum.scan_time
@@ -116,9 +121,7 @@ def main(ident_file=None, mzml_file=None):
                 results=results,
             )
     # print(results)
-    out_folder = os.path.join(
-        os.path.dirname(ident_file), "complete_BSA_quantification"
-    )
+    out_folder = os.path.join(os.path.dirname(ident_file), "complete_BSA_quantification")
     if os.path.exists(out_folder) is False:
         os.mkdir(out_folder)
     print()
@@ -163,6 +166,7 @@ def main(ident_file=None, mzml_file=None):
                 formula_charge_to_quant_info[
                     (line_dict["formula"], int(line_dict["charge"]))
                 ]["evidence_rts"].append(round(float(ev_string.split("@")[1]), 2))
+
     import_ok = False
     try:
         import rpy2
diff --git a/example_scripts/get_example_BSA_file.py b/example_scripts/get_example_BSA_file.py
index 8a89bb1..fc4566f 100755
--- a/example_scripts/get_example_BSA_file.py
+++ b/example_scripts/get_example_BSA_file.py
@@ -44,9 +44,7 @@ def main():
         basename = os.path.basename(http_url).replace("?", "")  # Win compatible
         output_path = os.path.join(os.path.dirname(mzML_file), basename)
         with open(output_path, "wb") as ooo:
-            local_filename, headers = request.urlretrieve(
-                http_url, filename=output_path
-            )
+            local_filename, headers = request.urlretrieve(http_url, filename=output_path)
         try:
             shutil.move("{0}?format=raw".format(mzML_file), mzML_file)
         except:
diff --git a/example_scripts/parse_ident_file_and_quantify.py b/example_scripts/parse_ident_file_and_quantify.py
index bea3e66..de25cbb 100755
--- a/example_scripts/parse_ident_file_and_quantify.py
+++ b/example_scripts/parse_ident_file_and_quantify.py
@@ -104,9 +104,7 @@ def main(ident_file=None, mzml_file=None):
     pickle.dump(
         results,
         open(
-            os.path.join(
-                out_folder, "{0}_pyQms_results.pkl".format(mzml_file_basename)
-            ),
+            os.path.join(out_folder, "{0}_pyQms_results.pkl".format(mzml_file_basename)),
             "wb",
         ),
     )
diff --git a/example_scripts/parse_ident_file_and_quantify_with_carbamidomethylation.py b/example_scripts/parse_ident_file_and_quantify_with_carbamidomethylation.py
index b79cda8..73d80a1 100755
--- a/example_scripts/parse_ident_file_and_quantify_with_carbamidomethylation.py
+++ b/example_scripts/parse_ident_file_and_quantify_with_carbamidomethylation.py
@@ -75,7 +75,11 @@ def main(ident_file=None, mzml_file=None):
         ]
     }
 
-    formatted_fixed_labels, evidence_lookup, molecule_list = pyqms.adaptors.parse_evidence(
+    (
+        formatted_fixed_labels,
+        evidence_lookup,
+        molecule_list,
+    ) = pyqms.adaptors.parse_evidence(
         fixed_labels=tmp_fixed_labels, evidence_files=[ident_file]
     )
 
@@ -116,9 +120,7 @@ def main(ident_file=None, mzml_file=None):
     pickle.dump(
         results,
         open(
-            os.path.join(
-                out_folder, "{0}_pyQms_results.pkl".format(mzml_file_basename)
-            ),
+            os.path.join(out_folder, "{0}_pyQms_results.pkl".format(mzml_file_basename)),
             "wb",
         ),
     )
diff --git a/pyqms/__init__.py b/pyqms/__init__.py
index 30e86ed..b2f33ff 100644
--- a/pyqms/__init__.py
+++ b/pyqms/__init__.py
@@ -36,9 +36,7 @@
     raise RuntimeError("pyQms requires Python 3.5 or later.")
 
 from . import knowledge_base
-from .unimod_mapper import UnimodMapper
 from .isotopologue_library import IsotopologueLibrary
-from .chemical_composition import ChemicalComposition
 from .results import Results
 from .results import match
 from .params import params
diff --git a/pyqms/adaptors.py b/pyqms/adaptors.py
index d4019e3..e5511c9 100644
--- a/pyqms/adaptors.py
+++ b/pyqms/adaptors.py
@@ -27,6 +27,9 @@
 import sys
 import codecs
 import re
+from pathlib import Path
+from chemical_composition import ChemicalComposition
+from unimod_mapper import UnimodMapper
 
 POST_EXPERIMENTAL_MODIFICATIONS = ["Carbamidomethyl"]
 
@@ -53,7 +56,7 @@
 }
 
 
-def _parse_evidence_and_format_fixed_labels(data=None):
+def _parse_evidence_and_format_fixed_labels(data=None, unimod_file_list=None):
     """
 
     Reformats input params to pyQms compatible params. Additionally evidence
@@ -152,7 +155,9 @@ def _parse_evidence_and_format_fixed_labels(data=None):
             converted_value = PARAM_TYPE_LOOKUP[k](v)
             r["params"][k] = converted_value
 
-    cc_factory = pyqms.chemical_composition.ChemicalComposition()
+    cc_factory = ChemicalComposition(
+        unimod_file_list=unimod_file_list, add_default_files=False
+    )
     tmp_fixed_labels = None
     if "fixed_labels" in data.keys() and len(data["fixed_labels"]) != 0:
         tmp_fixed_labels = {}
@@ -187,6 +192,7 @@ def _parse_evidence_and_format_fixed_labels(data=None):
         evidence_files=evidence_file_list,
         molecules=data["molecules"],
         evidence_score_field=data["evidence_score_field"],
+        unimod_file_list=unimod_file_list,
     )
     r["fixed_labels"] = formatted_fixed_labels
     r["molecules"] = molecule_list
@@ -201,6 +207,7 @@ def parse_evidence(
     molecules=None,
     evidence_score_field=None,
     return_raw_csv_data=False,
+    unimod_file_list=None,
 ):
     """
     Reads in the evidence file and returns the final formatted fixed labels,
@@ -255,7 +262,7 @@ def parse_evidence(
     if evidence_score_field is None:
         evidence_score_field = "PEP"  #  default
 
-    unimod_parser = pyqms.UnimodMapper()
+    unimod_parser = UnimodMapper(xml_file_list=unimod_file_list, add_default_files=False)
 
     fixed_mod_lookup = {}
     amino_acid_2_fixed_mod_name = ddict(list)
@@ -271,7 +278,9 @@ def parse_evidence(
         for aa, fixed_mod_info_dict_list in fixed_labels.items():
             for fixed_mod_info_dict in fixed_mod_info_dict_list:
                 if isinstance(fixed_mod_info_dict["element_composition"], dict):
-                    tmp_cc_factory = pyqms.chemical_composition.ChemicalComposition()
+                    tmp_cc_factory = ChemicalComposition(
+                        unimod_file_list=unimod_file_list, add_default_files=False
+                    )
                     tmp_cc_factory.add_chemical_formula(
                         fixed_mod_info_dict["element_composition"]
                     )
@@ -292,7 +301,9 @@ def parse_evidence(
                 all_fixed_mod_names.add(fixed_mod_info_dict["evidence_mod_name"])
                 tmp_cc_factory.clear()
 
-    cc_factory = pyqms.chemical_composition.ChemicalComposition()
+    cc_factory = ChemicalComposition(
+        unimod_file_list=unimod_file_list, add_default_files=False
+    )
 
     # this is the lookup for the lib with the evidences
     # tmp_evidences = ddict(list)
@@ -343,17 +354,17 @@ def parse_evidence(
                     else:
                         formatted_mods = []
                         # 2-UNIMOD:4,3-UNIMOD:4
-                        for pos_and_unimod_id in line_dict[
-                            modification_fieldname
-                        ].split(","):
+                        for pos_and_unimod_id in line_dict[modification_fieldname].split(
+                            ","
+                        ):
                             pos, unimod_id = pos_and_unimod_id.split("-")
-                            unimod_name = unimod_parser.id2name(unimod_id.split(":")[1])
+                            unimod_name = unimod_parser.id2first_name(
+                                unimod_id.split(":")[1]
+                            )
                             formatted_mods.append("{0}:{1}".format(unimod_name, pos))
                         formatted_mods = ";".join(formatted_mods)
 
-                    molecule = "{0}#{1}".format(
-                        line_dict[seq_fieldname], formatted_mods
-                    )
+                    molecule = "{0}#{1}".format(line_dict[seq_fieldname], formatted_mods)
 
                 dict_2_append = {}
                 rt = line_dict.get(rt_fieldname, "")
@@ -381,10 +392,12 @@ def parse_evidence(
                     if additional_name != "":
                         # use set to remove double values
                         tmp_evidences[molecule]["trivial_names"].add(additional_name)
-                        if 'trivial_name' not in dict_2_append.keys():
-                            dict_2_append['trivial_name'] = additional_name
+                        if "trivial_name" not in dict_2_append.keys():
+                            dict_2_append["trivial_name"] = additional_name
                         else:
-                            dict_2_append['trivial_name'] += ';{0}'.format(additional_name)                
+                            dict_2_append["trivial_name"] += ";{0}".format(
+                                additional_name
+                            )
                 tmp_evidences[molecule]["evidences"].append(dict_2_append)
 
     mod_pattern = re.compile(r""":(?P<pos>[0-9]*$)""")
@@ -451,8 +464,16 @@ def parse_evidence(
         # print(molecule)
         if molecule.startswith("+"):
             cc_factory.add_chemical_formula(molecule)
+        elif "#" in molecule:
+            try:
+                sequence, modifications = molecule.split("#")
+            except ValueError:
+                raise ValueError(f"Invalid Sequence too many # ({molecule})")
+
+            cc_factory.use(sequence=sequence, modifications=modifications)
         else:
-            cc_factory.use(molecule)
+            cc_factory.use(sequence=molecule)
+
         if len(fixed_label_mod_addon_names) != 0:
             for fixed_mod_name in fixed_label_mod_addon_names:
                 cc_factory.add_chemical_formula(fixed_mod_lookup[fixed_mod_name])
diff --git a/pyqms/chemical_composition.py b/pyqms/chemical_composition.py
deleted file mode 100644
index 5e39525..0000000
--- a/pyqms/chemical_composition.py
+++ /dev/null
@@ -1,593 +0,0 @@
-# !/usr/bin/env python
-# encoding: utf-8
-"""
-    pyQms
-    -----
-
-    Python module for fast and accurate mass spectrometry data quantification
-
-    :license: MIT, see LICENSE.txt for more details
-
-    Authors:
-
-        * Leufken, J.
-        * Niehues, A.
-        * Sarin, L.P.
-        * Hippler, M.
-        * Leidel, S.A.
-        * Fufezan, C.
-
-"""
-from __future__ import absolute_import
-import sys
-import re
-import pyqms
-from collections import defaultdict as ddict
-import copy
-
-
-class ChemicalComposition(dict):
-    """
-    Chemical composition class. The actual sequence or formula can be reset
-    using the `add` function.
-
-    Keyword Arguments:
-        sequence (str): Peptide or chemical formula sequence
-        aa_compositions (Optional[dict]): amino acid compositions
-        isotopic_distributions (Optional[dict]): isotopic distributions
-
-
-    Keyword argument examples:
-
-        * **sequence**
-
-    This can for example be::
-
-        molecules = [
-            '+H2O2H2-OH',
-            '+{0}'.format('H2O'),
-            '{peptide}'.format(pepitde='ELVISLIVES'),
-            '{peptide}+{0}'.format('PO3', peptide='ELVISLIVES'),
-            '{peptide}#{unimod}:{pos}'.format(
-                peptide = 'ELVISLIVES',
-                unimod = 'Oxidation',
-                pos = 1
-            )
-        ]
-
-    Examples:
-
-        >>> c = pyqms.ChemicalComposition()
-        >>> c.use("ELVISLIVES#Acetyl:1")
-        >>> c.hill_notation()
-        'C52H90N10O18'
-        >>> c.hill_notation_unimod()
-        'C(52)H(90)N(10)O(18)'
-        >>> c
-        {'O': 18, 'H': 90, 'C': 52, 'N': 10}
-        >>> c.composition_of_mod_at_pos[1]
-        defaultdict(<class 'int'>, {'O': 1, 'H': 2, 'C': 2})
-        >>> c.composition_of_aa_at_pos[1]
-        {'O': 3, 'H': 7, 'C': 5, 'N': 1}
-        >>> c.composition_at_pos[1]
-        defaultdict(<class 'int'>, {'O': 4, 'H': 9, 'C': 7, 'N': 1})
-
-        >>> c = pyqms.ChemicalComposition('+H2O2H2')
-        >>> c
-        {'O': 2, 'H': 4}
-        >>> c.subtract_chemical_formula('H3')
-        >>> c
-        {'O': 2, 'H': 1}
-
-
-    Note:
-        We did not include mass calculation, since pyQms will do it much
-        more accurately using unimod and other element enrichments.
-
-
-    """
-    _unimod_parser = pyqms.UnimodMapper()
-    
-    def __init__(
-        self, sequence=None, aa_compositions=None, isotopic_distributions=None
-    ):
-
-        # self._unimod_parser = None
-        self.composition_of_mod_at_pos = {}
-        """dict: chemical composition of unimod modifications at given position
-        (if peptide sequence was used as input or using the `use` function)
-
-        Note:
-            Numbering starts at position 1, since all PSM search engines
-            use this nomenclature.
-        """
-        self.composition_of_aa_at_pos = {}
-        """dict: chemical composition of amino acid at given peptide position
-        (if peptide sequence was used as input or using the `use` function)
-
-        Note:
-            Numbering starts at position 1, since all PSM search engines
-            use this nomenclature.
-
-            Examples::
-
-                c.composition_of_mod_at_pos[1] = {
-                    '15N': 2, '13C': 6, 'N': -2, 'C': -6
-                }
-
-        """
-        self.composition_at_pos = {}
-        """dict: chemical composition at given peptide position incl modifications
-        (if peptide sequence was used as input or using the `use` function)
-
-        Note:
-            Numbering starts at position 1, since all PSM search engines
-            use this nomenclature.
-        """
-        self.peptide = None
-        self.addon = None
-        self.unimod_at_pos = {}
-        # self.regex_patterns = {
-        #     ':pos' : re.compile( r''':(?P<pos>[0-9]*)''' ),
-        #     'aaN'  : re.compile( r'''(?P<aa>[A-Z]{1})(?P<N>[0-9]*)''' ),
-        # }
-        if aa_compositions is None:
-            self.aa_compositions = pyqms.knowledge_base.aa_compositions
-        else:
-            self.aa_compositions = aa_compositions
-        if isotopic_distributions is None:
-            self.isotopic_distributions = pyqms.knowledge_base.isotopic_distributions
-        else:
-            self.isotopic_distributions = isotopic_distributions
-        if sequence is not None:
-            self.use(sequence)
-
-    def __add__(self, other_cc):
-        """Experimental"""
-        tmp = copy.deepcopy(self)
-        for other_key, other_value in other_cc.items():
-            tmp[other_key] += other_value
-        return tmp
-
-    def __missing__(self, key):
-        if key not in self.keys():
-            self[key] = 0
-        return self[key]
-
-    def __repr__(self):
-        return self.hill_notation()
-
-    def clear(self):
-        """
-        Resets all lookup dictionaries and self
-
-        One class instance can be used analysing a series of sequences, thereby
-        avoiding class instantiation overhead.
-
-        Warning:
-
-            Make sure to reset when looping over sequences and use the class.
-            Chemical formulas (elemental compositions) will accumulate if not
-            resetted.
-        """
-
-        self.composition_of_mod_at_pos.clear()
-        self.composition_of_aa_at_pos.clear()
-        self.composition_at_pos.clear()
-        self.unimod_at_pos.clear()
-
-        self.peptide = None
-        self.addon = None
-        for k in list(self.keys()):
-            del self[k]
-
-    def _parse_sequence_old_style(self, sequence):
-        """
-        Adaptor for obsolete piqDB format.
-        """
-        positions = [len(sequence)]
-        for sign in ["+", "-"]:
-            if sign in sequence:
-                positions.append(sequence.index(sign))
-        minPos = min(positions)
-        peptide = sequence[:minPos]
-        addon = sequence[minPos:]
-        self.peptide = peptide
-        self.addon = addon
-        if peptide != "":
-            self.add_peptide(peptide)
-            self["O"] += 1
-            self["H"] += 2
-
-        chemical_formula_blocks = re.compile(
-            r"""
-                        [+|-]{1}
-                        [^-+]*
-                        """,
-            re.VERBOSE,
-        ).findall(addon)
-        for cb in chemical_formula_blocks:
-            if cb[0] == "+":
-                self.add_chemical_formula(cb[1:])
-            else:
-                self.subtract_chemical_formula(cb[1:])
-        return
-
-    def _parse_sequence_unimod_style(self, sequence):
-        """
-        Sequence and modification parser in current format. Can hold also the
-        modification information i.e. fixed or variable mods.
-
-        Note:
-
-            Sequences must not have two modifications at the same position!
-
-        Example:
-
-            '{peptide}#{unimod}:{pos}'.format(
-                peptide = 'ELVISLIVES',
-                unimod = 'Oxidation',
-                pos = 1
-            )
-        """
-        minPos = sequence.index("#")
-        peptide = sequence[:minPos]
-        addon = sequence[minPos + 1 :]
-        self.peptide = peptide
-        if peptide != "":
-            self.add_peptide(peptide)
-            self["O"] += 1
-            self["H"] += 2
-        self.addon = addon
-        unimods = self.addon.split(";")
-        # pattern = self.regex_patterns[':pos']
-        pattern = re.compile(r""":(?P<pos>[0-9]*$)""")
-        for unimod in unimods:
-            if unimod == "":
-                continue
-            # print( unimod )
-            unimodcomposition = None
-
-            unimod = unimod.strip()
-
-            if ':' not in unimod:
-                print('This unimod: {0} requires positional information'.format(unimod))
-                sys.exit(1)
-            for occ, match in enumerate( pattern.finditer( unimod )):
-                try:
-                    unimodcomposition = ChemicalComposition._unimod_parser.name2composition(
-                        unimod[ :match.start() ]
-
-                    )
-                except:
-                    print(
-                        "Can not map unimod {0}. extracted position argument {1}".format(
-                            unimod, match.start()
-                        )
-                    )
-                    sys.exit(1)
-
-
-                if unimodcomposition is None:
-                    print(
-                        'This unimod: {0} could not be mapped and thus no CC could be read'.format(
-                            unimod
-                        )
-                    )
-                    sys.exit(1)
-                position = int(match.group("pos"))
-
-                if position in self.unimod_at_pos.keys():
-                    sys.exit(
-                        "{0} <<- Two unimods at the same position ? ".format(sequence)
-                    )
-                self.unimod_at_pos[position] = unimod[: match.start()]
-            # match = re.search( position_re_pattern, unimod)
-            # if match is not None:
-            #     end = match.start()
-            #     print( '>>>>', match)
-            # else:
-            #     end = len( unimod )
-            # try:
-            #     unimodcomposition = self._unimod_parser.name2composition(
-            #         unimod[:end ]
-            #     )
-            # except:
-            #     print(
-            #         'Unimod error:', unimod,'>>', unimod[:end],
-            #         re.search( position_re_pattern , unimod),
-            #         re.search( position_re_pattern , unimod).start()
-            #     )
-            #     exit(1)
-            # print( self , 'peptide only')
-            # print( 'Unimod:', unimod, unimod[:end] , )
-            # Full addition
-            # print( unimodcomposition , '<<<<<<', ChemicalComposition._unimod_parser)
-            for k, v in unimodcomposition.items():
-                self[k] += v
-            # storage position related modifications
-            position = int(match.group("pos"))
-            if position == 0:
-                # E.g. Acetylation at pos 0 indicates N-Term
-                # but has to be counted for position 1 in this class
-                position = 1
-
-            if position not in self.composition_of_mod_at_pos.keys():
-                self.composition_of_mod_at_pos[position] = ddict(int)
-            if position not in self.composition_at_pos.keys():
-                self.composition_at_pos[position] = ddict(int)
-            for k, v in unimodcomposition.items():
-                self.composition_of_mod_at_pos[position][k] += v
-                self.composition_at_pos[position][k] += v
-
-        return
-
-    def use(self, sequence):
-        """
-        Re-initialize the class with a new sequence
-
-        This is helpful if one ones to use the same class instance
-        for multiple sequence since it remove class instantiation overhead.
-
-        Args:
-            sequence (str) - See top for possible input formats.
-
-        Note:
-
-            Will clear the current chemical composition dict!
-        """
-
-        self.clear()
-        # reset the shiznit
-        if "#" in sequence:
-            # Unimod Style format
-            if self._unimod_parser is None:
-                self._unimod_parser = pyqms.UnimodMapper()
-            self._parse_sequence_unimod_style(sequence)
-        else:
-            self._parse_sequence_old_style(sequence)
-
-    def add_chemical_formula(self, chemical_formula):
-        """
-        Adds chemical formula to the instance
-
-        Chemical formula can be a string or a dictionary with the element
-        count.
-
-        For example::
-
-            chemical_formula = 'C18H36N9O18'
-            chemical_formula = {
-                'C' : 18,
-                'H' : 36,
-                'N' : 9,
-                'O' : 18
-            }
-
-        """
-        self._merge(chemical_formula, mode="addition")
-        return
-
-    def add_peptide(self, peptide):
-        """
-            Adds peptide sequence to the instance.
-
-            Note:
-
-                Only standard amino acids can be processed. If one uses special
-                amino acids like (U of F) they have to be added to
-                knowledge_base.py.
-
-        """
-        # pattern = self.regex_patterns['aaN']
-        pattern = re.compile(r"""(?P<aa>[A-Z]{1})(?P<N>[0-9]*)""")
-        # pattern = re.compile(r'[A-Z]{1}[0-9]*')
-        number_offset = 0
-        # this are the count for e.g. SILAC aa, i.e. R0 R1 or C0 and so on ...
-        # print( peptide, type( peptide ))
-        for aaN_match in pattern.finditer(peptide):
-            aa = aaN_match.group("aa")
-            N = aaN_match.group("N")
-            pos = int(aaN_match.start()) - number_offset + 1
-            if N != "":
-                number_offset += len(N)
-            try:
-                aa_compo = self.aa_compositions[aa + N]
-            except:
-                sys.exit("Do not know aa composition for {0}".format(aa + N))
-            self.add_chemical_formula(aa_compo)
-
-            composition = self._chemical_formula_to_dict(aa_compo)
-            self.composition_of_aa_at_pos[pos] = composition
-            if pos not in self.composition_at_pos.keys():
-                self.composition_at_pos[pos] = ddict(int)
-            for k, v in composition.items():
-                self.composition_at_pos[pos][k] += v
-
-    def _chemical_formula_to_dict(self, chemical_formula):
-        """
-        Internal function to convert a chemical formula as string to a
-        dictionary.
-        """
-        if isinstance(chemical_formula, pyqms.ChemicalComposition):
-            chem_dict = chemical_formula
-        else:
-            unimod_style = False
-            if "(" in chemical_formula:
-                unimod_style = True
-            chem_dict = {}
-            # print( chemical_formula , type( chemical_formula ))
-            # pattern = re.compile(r'(?P<element>[A-Z][a-z]*)(?P<count>[0-9]*)')
-            if unimod_style:
-                pattern = re.compile(
-                    r"(?P<isotop>[0-9]*)(?P<element>[A-Z][a-z]*)\((?P<count>[0-9]*)\)"
-                )
-            else:
-                pattern = re.compile(r"(?P<element>[A-Z][a-z]*)(?P<count>[0-9]*)")
-            for match in pattern.finditer(chemical_formula):
-                if match.group("count") == "":
-                    count = 1
-                else:
-                    count = int(match.group("count"))
-                if unimod_style:
-                    element_key = "{0}{1}".format(
-                        match.group("isotop"), match.group("element")
-                    )
-                else:
-                    element_key = match.group("element")
-                if element_key not in chem_dict.keys():
-                    chem_dict[element_key] = 0
-                chem_dict[element_key] += count
-        return chem_dict
-
-    def hill_notation(self, include_ones=False, cc=None):
-        """
-        Formats chemical composition into `Hill notation`_ string.
-
-        .. _Hill Notation:
-            https://en.wikipedia.org/wiki/Hill_system
-
-        Args:
-            cc (dict, optional): elemental composition dict
-
-        Returns:
-            str: Hill notation format of self.
-
-                For example::
-
-                    'C50H88N10O17'
-        """
-        MAJORS = ["C", "H"]
-        s = ""
-        if cc is None:
-            cc_dict = self
-        else:
-            cc_dict = cc
-
-        for major in MAJORS:
-            if major in cc_dict.keys():
-                if cc_dict[major] == 0:
-                    continue
-                s += major
-                if include_ones or cc_dict[major] > 1:
-                    s += str(cc_dict[major])
-        for k in sorted(cc_dict.keys()):
-            if k not in MAJORS:
-                if cc_dict[k] == 0:
-                    continue
-                s += k
-                if include_ones or cc_dict[k] > 1:
-                    s += str(cc_dict[k])
-        return s
-
-    # def hill_notation(self, include_ones=False):
-    def hill_notation_unimod(self, cc=None):
-        """
-        Formats chemical composition into `Hill notation`_ string
-        adding `unimod`_ features.
-
-        .. _Hill Notation:
-            https://en.wikipedia.org/wiki/Hill_system
-
-        .. _unimod:
-            http://www.unimod.org/fields.html
-
-        Args:
-            cc (dict, optional): elemental composition dict
-
-        Returns:
-            str: Hill notation format including unimod format rules of self.
-
-                For example::
-
-                    'C(50)H(88)N(10)O(17)'
-                    'C(50)H(88)14N(1)N(9)(17)'
-
-        """
-        MAJORS = ["C", "H"]
-        s = ""
-        if cc is None:
-            cc_dict = self
-        else:
-            cc_dict = cc
-
-        for major in MAJORS:
-            if major in cc_dict.keys():
-                if cc_dict[major] == 0:
-                    continue
-                s += "{0}({1})".format(
-                    major.replace("(", "").replace(")", ""), cc_dict[major]
-                )
-        for k in sorted(cc_dict.keys()):
-            if k not in MAJORS:
-                if cc_dict[k] == 0:
-                    continue
-                s += "{0}({1})".format(k.replace("(", "").replace(")", ""), cc_dict[k])
-        return s
-
-    def _mass(self, cc=None):
-        """
-        Calculate the mass of the chemical composition.
-        Optional cc can be specified, i.e. a cc dict in the style of
-        { element : count , ... }
-
-        This does however not work with enriched elements, e.g. 15N
-        Rather use pyqms.isotopologue_library for more accurate mass
-        calculations.
-        """
-        mass = 0
-        if cc is None:
-            cc_mass_dict = self
-        else:
-            cc_mass_dict = cc
-        for element, count in cc_mass_dict.items():
-            if element not in self.isotopic_distributions.keys():
-                match = re.search('(?P<isotope>[0-9]*)(?P<element>[A-Z][a-z]*$)', element)
-                for _emass, _distribution in self.isotopic_distributions[match.group('element')]:
-                    if int(round(_emass)) == int(match.group('isotope')):
-                        emass = _emass
-                        break
-            else:
-                emass = self.isotopic_distributions[element][0][0]
-            mass += count * emass
-        return mass
-
-    def _merge(self, chemical_formula, mode="addition"):
-        """
-            Generalized function that allows addition and subtraction
-        """
-        if mode == "addition":
-            sign = +1
-        else:
-            sign = -1
-        if isinstance(chemical_formula, str):
-            chemical_formula = self._chemical_formula_to_dict(chemical_formula)
-        for element, count in chemical_formula.items():
-            self[element] = self[element] + sign * count
-        # else:
-        #     print(chemical_formula, type(chemical_formula))
-        #     sys.exit('Do not know the format of the chemical formula')
-        return
-
-    def subtract_peptide(self, peptide):
-        """
-            Subtracts peptide (chemical formula) from instance.
-        """
-        for aa in peptide:
-            self.subtract_chemical_formula(self.aa_compositions[aa])
-
-    def subtract_chemical_formula(self, chemical_formula):
-        """
-            Subtracts chemical formula from instance.
-        """
-        self._merge(chemical_formula, mode="subtraction")
-        return
-
-    def generate_cc_dict(self):
-        tmp = {}
-        tmp.update(self)
-        return tmp
-
-
-# if __name__ == '__main__':
-# print('Yes!')
diff --git a/pyqms/isotopologue_library.py b/pyqms/isotopologue_library.py
index 4c8a60e..9737b47 100755
--- a/pyqms/isotopologue_library.py
+++ b/pyqms/isotopologue_library.py
@@ -28,6 +28,7 @@
 import operator
 import time
 import numpy as np
+from chemical_composition import ChemicalComposition
 
 
 class IsotopologueLibrary(dict):
@@ -218,6 +219,8 @@ def __init__(
         trivial_names=None,
         verbose=True,
         evidences=None,
+        unimod_files=None,
+        add_default_files=True,
     ):
         assert molecules is not None, "require list of molecules"
         assert charges is not None, "require list of charges"
@@ -249,6 +252,7 @@ def __init__(
             self.lookup["molecule to trivial name"] = trivial_names
         if evidences is None:
             evidences = {}
+        self.unimod_files = unimod_files
         self.lookup["formula to evidences"] = evidences
 
         self.regex = {
@@ -307,15 +311,29 @@ def __init__(
             # will be redefined ...self._highest_element_count
         self._highest_element_count = {}
         self._range_for_elements_with_two_isotopes = [None, None]
-        cc_factory = pyqms.ChemicalComposition(
+        cc_factory = ChemicalComposition(
             aa_compositions=self.aa_compositions,
             isotopic_distributions=self.isotopic_distributions,
+            unimod_file_list=unimod_files,
+            add_default_files=add_default_files,
         )
         # ----------------------------------------------------------------
         #       BUILDING ISOTOPOLGUES ....
         # ----------------------------------------------------------------
         for molecule in list(set(molecules)):
-            cc_factory.use(molecule)
+            if "#" in molecule:
+                # molecule is peptide with unimod modification format
+                bits = molecule.split("#")
+                if len(bits) > 2:
+                    raise ValueError(
+                        f"{molecule} contains too many '#' {len(bits)} only one allowed"
+                    )
+                sequence = bits[0]
+                modification = bits[1]
+            else:
+                sequence = molecule
+                modification = None
+            cc_factory.use(sequence=sequence, modifications=modification)
             # mass = cc_factory.mass()
             # if mass / max(self.charges) > self.params['UPPER_MZ_LIMIT']:
             #     continue
@@ -351,6 +369,7 @@ def __init__(
             # hill_notation to avoid any mismatches
             if formula not in self.keys():
                 self[formula] = {"env": {}, "cc": chemical_composition}
+                # self[formula] = {"env": {}, "cc": ChemicalComposition}
             for percentile_tuple in self.labled_percentiles:
                 self[formula]["env"][percentile_tuple] = {}
 
@@ -506,8 +525,7 @@ def __init__(
                     )
                 # element_stats              = {}
                 not_labled_elements = (
-                    set(self[formula]["cc"].keys())
-                    - self.metabolically_labeled_elements
+                    set(self[formula]["cc"].keys()) - self.metabolically_labeled_elements
                 )
 
                 pt_dependency = {}
@@ -540,12 +558,14 @@ def __init__(
                                 label_percentile,
                             ) in label_percentile_tuple:
                                 # print(percentile_element, label_percentile, isotope_less_element)
-                                if percentile_element == isotope_less_element and label_percentile == self.params[
-                                    "PERCENTILE_FORMAT_STRING"
-                                ].format(
-                                    self.params[
-                                        "FIXED_LABEL_ISOTOPE_ENRICHMENT_LEVELS"
-                                    ][element]
+                                if (
+                                    percentile_element == isotope_less_element
+                                    and label_percentile
+                                    == self.params["PERCENTILE_FORMAT_STRING"].format(
+                                        self.params[
+                                            "FIXED_LABEL_ISOTOPE_ENRICHMENT_LEVELS"
+                                        ][element]
+                                    )
                                 ):
                                     targe_element_key = isotope_less_element
                         # else:
@@ -569,9 +589,9 @@ def __init__(
                         if element in self.metabolically_labeled_elements:
                             continue
 
-                        default_element_label = list(
-                            self.element_trees[element].keys()
-                        )[0]
+                        default_element_label = list(self.element_trees[element].keys())[
+                            0
+                        ]
                         # is this zero_labeled_percentile ?
                         # --------
                         env_range = (
@@ -657,12 +677,12 @@ def __init__(
                             except:
                                 print(
                                     "Can we use the limits ?",
-                                    self.element_trees[element][label_percentile][
-                                        level
-                                    ]["minPos"],
-                                    self.element_trees[element][label_percentile][
-                                        level
-                                    ]["maxPos"],
+                                    self.element_trees[element][label_percentile][level][
+                                        "minPos"
+                                    ],
+                                    self.element_trees[element][label_percentile][level][
+                                        "maxPos"
+                                    ],
                                     pos,
                                     element,
                                     combo,
@@ -726,9 +746,7 @@ def __init__(
                                 )
                             )
                         )
-                        relative_intensity = total_local_intensity / float(
-                            max_intensity
-                        )
+                        relative_intensity = total_local_intensity / float(max_intensity)
                         self[formula]["env"][label_percentile_tuple]["relabun"].append(
                             relative_intensity
                         )
@@ -769,8 +787,7 @@ def __init__(
                             #
                             if self.params["MACHINE_OFFSET_IN_PPM"] != 0:
                                 mz = (
-                                    mz
-                                    + mz * 1e-6 * self.params["MACHINE_OFFSET_IN_PPM"]
+                                    mz + mz * 1e-6 * self.params["MACHINE_OFFSET_IN_PPM"]
                                 )
 
                             self[formula]["env"][label_percentile_tuple][charge][
@@ -866,9 +883,13 @@ def __init__(
                     "mz_range": [None, None],
                 }
                 for index in range(raw_index, next_raw_index):
-                    lower_mz, upper_mz, charge, label_percentile_tuple, formula = self.formulas_sorted_by_mz[
-                        index
-                    ]
+                    (
+                        lower_mz,
+                        upper_mz,
+                        charge,
+                        label_percentile_tuple,
+                        formula,
+                    ) = self.formulas_sorted_by_mz[index]
                     if self.params["MAX_MOLECULES_PER_MATCH_BIN"] != 1:
                         self.match_sets[package_number]["tmzs"] |= self[formula]["env"][
                             label_percentile_tuple
@@ -959,9 +980,9 @@ def _build_label_percentile_tuples(self):
                 # isotope = match.group('isotope')
                 element = match.group("element")
                 index = entry[1]
-                label_tmp_dict[element] = self.params[
-                    "PERCENTILE_FORMAT_STRING"
-                ].format(self.metabolic_labels[entry[0]][index])
+                label_tmp_dict[element] = self.params["PERCENTILE_FORMAT_STRING"].format(
+                    self.metabolic_labels[entry[0]][index]
+                )
 
             # element_list, label_percentiles = zip(*sorted(label_tmp_dict.items()))
             self.labled_percentiles.append(tuple(sorted(label_tmp_dict.items())))
@@ -978,7 +999,14 @@ def _cache_kb(self):
         """
         default_aa_compositions = pyqms.knowledge_base.aa_compositions
         for aa, composition in default_aa_compositions.items():
-            self.aa_compositions[aa] = pyqms.ChemicalComposition("+" + composition)
+            self.aa_compositions[aa] = ChemicalComposition(
+                formula="+" + composition, unimod_file_list=self.unimod_files
+            )
+
+        for user_aa, composition in self.params.get("AMINO_ACIDS", {}).items():
+            self.aa_compositions[user_aa] = ChemicalComposition(
+                formula="+" + composition, unimod_file_list=self.unimod_files
+            )
 
         default_isotopic_distributions = pyqms.knowledge_base.isotopic_distributions
         for element, distribution in default_isotopic_distributions.items():
@@ -1117,12 +1145,12 @@ def _create_element_trees(self):
             ):
                 self.element_trees[element][label_percentile] = {
                     1: {
-                        "maxPos": self.isotopic_distributions[element][
-                            label_percentile
-                        ][-1][2],
-                        "minPos": self.isotopic_distributions[element][
-                            label_percentile
-                        ][0][2],
+                        "maxPos": self.isotopic_distributions[element][label_percentile][
+                            -1
+                        ][2],
+                        "minPos": self.isotopic_distributions[element][label_percentile][
+                            0
+                        ][2],
                         "env": {},
                     }
                 }
@@ -1623,9 +1651,7 @@ def _extend_molecules_with_fixed_labels(self, molecules):
                         extend_variation_lookup = True
                     if extend_variation_lookup:
                         try:
-                            self.lookup["molecule fixed label variations"][
-                                full_molecule
-                            ]
+                            self.lookup["molecule fixed label variations"][full_molecule]
                         except:
                             self.lookup["molecule fixed label variations"][
                                 full_molecule
@@ -1707,9 +1733,9 @@ def _increase_element_envelope(self, element=None, label_percentile=None, count=
                     previousMass = self.element_trees[element][label_percentile][
                         self.computed_level_complex_isotopes
                     ]["env"][envPos]["mass"]
-                    isotopeMass = self.isotopic_distributions[element][
-                        label_percentile
-                    ][isotopePos][0]
+                    isotopeMass = self.isotopic_distributions[element][label_percentile][
+                        isotopePos
+                    ][0]
                     self.element_trees[element][label_percentile][n]["env"][
                         envPos + isotopePos
                     ]["mass"].append(previousMass + isotopeMass)
@@ -1835,9 +1861,13 @@ def match_all(
                     ):
                         continue
 
-                    lower_mz, upper_mz, charge, label_percentile_tuple, formula = self.formulas_sorted_by_mz[
-                        index
-                    ]
+                    (
+                        lower_mz,
+                        upper_mz,
+                        charge,
+                        label_percentile_tuple,
+                        formula,
+                    ) = self.formulas_sorted_by_mz[index]
                     key = (file_name, formula, charge, label_percentile_tuple)
                     value = (spec_id, spec_rt, score, scaling_factor, matched_peaks)
                     # print('added', score, matched_peaks )
@@ -1910,9 +1940,13 @@ def match_isotopologue(
             # use function blabla (to be written) to scan
             # self.formulas_sorted_by_mz for your target(s)
         else:
-            lower_mz, upper_mz, charge, label_percentile, formula = self.formulas_sorted_by_mz[
-                index
-            ]
+            (
+                lower_mz,
+                upper_mz,
+                charge,
+                label_percentile,
+                formula,
+            ) = self.formulas_sorted_by_mz[index]
         if mz_i_list is not None:
             assert (
                 spec_tmz_set is None
diff --git a/pyqms/kb/ext/usermod.xml b/pyqms/kb/ext/usermod.xml
new file mode 100644
index 0000000..477f5df
--- /dev/null
+++ b/pyqms/kb/ext/usermod.xml
@@ -0,0 +1,4343 @@
+<?xml version="1.0" encoding="utf-8"?>
+<!--Copyright (C) 2002-2006 Unimod; this information may be copied, distributed and/or-->
+<!--modified under certain conditions, but it comes WITHOUT ANY WARRANTY; see the-->
+<!--accompanying Design Science License for more details-->
+<umod:unimod xmlns:umod="http://www.unimod.org/xmlns/schema/unimod_2"
+             xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+             xsi:schemaLocation="http://www.unimod.org/xmlns/schema/unimod_2 http://www.unimod.org/xmlns/schema/unimod_2/unimod_2.xsd"
+             majorVersion="2"
+             minorVersion="0">
+   <umod:elements>
+      <umod:elem title="H" full_name="Hydrogen" avge_mass="1.00794" mono_mass="1.007825035"/>
+      <umod:elem title="2H" full_name="Deuterium" avge_mass="2.014101779"
+                 mono_mass="2.014101779"/>
+      <umod:elem title="Li" full_name="Lithium" avge_mass="6.941" mono_mass="7.016003"/>
+      <umod:elem title="C" full_name="Carbon" avge_mass="12.0107" mono_mass="12"/>
+      <umod:elem title="13C" full_name="Carbon13" avge_mass="13.00335483"
+                 mono_mass="13.00335483"/>
+      <umod:elem title="N" full_name="Nitrogen" avge_mass="14.0067" mono_mass="14.003074"/>
+      <umod:elem title="15N" full_name="Nitrogen15" avge_mass="15.00010897"
+                 mono_mass="15.00010897"/>
+      <umod:elem title="O" full_name="Oxygen" avge_mass="15.9994" mono_mass="15.99491463"/>
+      <umod:elem title="18O" full_name="Oxygen18" avge_mass="17.9991603" mono_mass="17.9991603"/>
+      <umod:elem title="F" full_name="Fluorine" avge_mass="18.9984032" mono_mass="18.99840322"/>
+      <umod:elem title="Na" full_name="Sodium" avge_mass="22.98977" mono_mass="22.9897677"/>
+      <umod:elem title="P" full_name="Phosphorous" avge_mass="30.973761" mono_mass="30.973762"/>
+      <umod:elem title="S" full_name="Sulfur" avge_mass="32.065" mono_mass="31.9720707"/>
+      <umod:elem title="Cl" full_name="Chlorine" avge_mass="35.453" mono_mass="34.96885272"/>
+      <umod:elem title="K" full_name="Potassium" avge_mass="39.0983" mono_mass="38.9637074"/>
+      <umod:elem title="Ca" full_name="Calcium" avge_mass="40.078" mono_mass="39.9625906"/>
+      <umod:elem title="Fe" full_name="Iron" avge_mass="55.845" mono_mass="55.9349393"/>
+      <umod:elem title="Ni" full_name="Nickel" avge_mass="58.6934" mono_mass="57.9353462"/>
+      <umod:elem title="Zn" full_name="Zinc" avge_mass="65.409" mono_mass="63.9291448"/>
+      <umod:elem title="Se" full_name="Selenium" avge_mass="78.96" mono_mass="79.9165196"/>
+      <umod:elem title="Br" full_name="Bromine" avge_mass="79.904" mono_mass="78.9183361"/>
+      <umod:elem title="Ag" full_name="Silver" avge_mass="107.8682" mono_mass="106.905092"/>
+      <umod:elem title="Hg" full_name="Mercury" avge_mass="200.59" mono_mass="201.970617"/>
+      <umod:elem title="Au" full_name="Gold" avge_mass="196.96655" mono_mass="196.966543"/>
+      <umod:elem title="I" full_name="Iodine" avge_mass="126.90447" mono_mass="126.904473"/>
+      <umod:elem title="Mo" full_name="Molybdenum" avge_mass="95.94" mono_mass="97.9054073"/>
+      <umod:elem title="Cu" full_name="Copper" avge_mass="63.546" mono_mass="62.9295989"/>
+      <umod:elem title="e" full_name="electron" avge_mass="0.000549" mono_mass="0.000549"/>
+      <umod:elem title="B" full_name="Boron" avge_mass="10.811" mono_mass="11.0093055"/>
+      <umod:elem title="As" full_name="Arsenic" avge_mass="74.9215942" mono_mass="74.9215942"/>
+      <umod:elem title="Cd" full_name="Cadmium" avge_mass="112.411" mono_mass="113.903357"/>
+      <umod:elem title="Cr" full_name="Chromium" avge_mass="51.9961" mono_mass="51.9405098"/>
+      <umod:elem title="Co" full_name="Cobalt" avge_mass="58.933195" mono_mass="58.9331976"/>
+      <umod:elem title="Mn" full_name="Manganese" avge_mass="54.938045" mono_mass="54.9380471"/>
+      <umod:elem title="Mg" full_name="Magnesium" avge_mass="24.305" mono_mass="23.9850423"/>
+      <umod:elem title="Pd" full_name="Palladium" avge_mass="106.42" mono_mass="105.903478"/>
+   </umod:elements>
+   <umod:modifications>
+     <umod:mod approved="false" date_time_modified="2019-04-10 16-15-57" date_time_posted="2019-04-10 16-15-57" full_name="TMTpro" group_of_poster="guest" title="TMTpro" username_of_poster="guest">
+        <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+           <umod:misc_notes></umod:misc_notes>
+        </umod:specificity>
+        <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="1">
+           <umod:misc_notes></umod:misc_notes>
+        </umod:specificity>
+        <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="0">
+           <umod:misc_notes></umod:misc_notes>
+        </umod:specificity>
+        <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="0">
+           <umod:misc_notes></umod:misc_notes>
+        </umod:specificity>
+        <umod:delta avge_mass="304.3127" composition="13C(7) 15N(2) C(8) H(25) N O(3)" mono_mass="304.207146">
+           <umod:element number="7" symbol="13C"/>
+           <umod:element number="2" symbol="15N"/>
+           <umod:element number="8" symbol="C"/>
+           <umod:element number="25" symbol="H"/>
+           <umod:element number="1" symbol="N"/>
+           <umod:element number="3" symbol="O"/>
+        </umod:delta>
+      </umod:mod>
+      <umod:mod title="Acetyl" full_name="Acetylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2008-02-15 05:20:02"
+                approved="1"
+                record_id="1">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="6"/>
+         <umod:specificity hidden="0" site="N-term" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Multiple"
+                           spec_group="2">
+            <umod:misc_notes>GIST acetyl light</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="K" position="Anywhere" classification="Multiple"
+                           spec_group="1">
+            <umod:misc_notes>PT and GIST acetyl light</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative"
+                           spec_group="7">
+            <umod:misc_notes>O-acetyl</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative"
+                           spec_group="8"/>
+         <umod:delta mono_mass="42.010565" avge_mass="42.0367" composition="H(2) C(2) O">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="2"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>14730666</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15350136</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0055</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>IonSource acetylation tutorial</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.ionsource.com/Card/acetylation/acetylation.htm</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Chemical Reagents for Protein Modification 3rd edition, pp 215-221, Roger L. Lundblad, CRC Press, New York, N.Y., 2005</umod:text>
+            <umod:source>Book</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11999733</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0043</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0044</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0354</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0045</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0056</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0046</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0051</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0052</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0364</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0041</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0049</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0048</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0047</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12175151</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0042</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0050</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0053</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0054</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>ACET</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PNAS 2006 103: 18574-18579</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://dx.doi.org/10.1073/pnas.0608995103</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Amidated" full_name="Amidation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2010-06-28 10:52:25"
+                approved="1"
+                record_id="2">
+         <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Artefact"
+                           spec_group="2">
+            <umod:misc_notes>MS/MS experiments of mass spectrometric c-ions (MS^3) can be used for protein identification by library searching. T3-sequencing is such a technique (see reference). Search engines must recognize this as a virtual modification.</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="C-term" position="Protein C-term"
+                           classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-0.984016" avge_mass="-0.9848" composition="H N O(-1)">
+            <umod:element symbol="H" number="1"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="-1"/>
+         </umod:delta>
+         <umod:alt_name>Top-Down sequencing c-type fragment ion</umod:alt_name>
+         <umod:xref>
+            <umod:text>AA0088</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0087</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0086</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0085</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0084</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0083</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0082</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0081</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0089</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0090</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0091</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0092</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0093</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0094</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0095</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0096</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0097</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0098</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0099</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0100</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AMID</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14588022</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Biotin" full_name="Biotinylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:27:08"
+                approved="1"
+                record_id="3">
+         <umod:specificity hidden="0" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="226.077598" avge_mass="226.2954"
+                     composition="H(14) C(10) N(2) O(2) S">
+            <umod:element symbol="H" number="14"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0117</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>BIOT</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Carbamidomethyl" full_name="Iodoacetamide derivative"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-21 13:05:07"
+                approved="1"
+                record_id="4">
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Artefact"
+                           spec_group="7"/>
+         <umod:specificity hidden="1" site="E" position="Anywhere" classification="Artefact"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="D" position="Anywhere" classification="Artefact"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Artefact"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Artefact"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Artefact"
+                           spec_group="8"/>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Artefact"
+                           spec_group="9"/>
+         <umod:delta mono_mass="57.021464" avge_mass="57.0513" composition="H(3) C(2) N O">
+            <umod:element symbol="H" number="3"/>
+            <umod:element symbol="C" number="2"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Carboxyamidomethylation</umod:alt_name>
+         <umod:xref>
+            <umod:text>Creasy, D. M., Cottrell, J. S., Proteomics 2 1426-34 (2002)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11510821</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Boja, E. S., Fales, H. M., Anal. Chem. 73 3576-82 (2001)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12422359</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Carbamyl" full_name="Carbamylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-21 13:06:47"
+                approved="0"
+                record_id="5">
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative"
+                           spec_group="8"/>
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative"
+                           spec_group="7"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="M" position="Anywhere" classification="Artefact"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Artefact"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Artefact"
+                           spec_group="3"/>
+         <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Multiple"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="K" position="Anywhere" classification="Multiple"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="9"/>
+         <umod:delta mono_mass="43.005814" avge_mass="43.0247" composition="H C N O">
+            <umod:element symbol="H" number="1"/>
+            <umod:element symbol="C" number="1"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>12203680</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Stark; Modification of proteins with cyanate. Meth Enz 25B, 579-584 (1972)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0343</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>10978403</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0332</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Smyth; Carbamylation of amino and tyrosine hydroxyl groups. J Biol Chem 242, 1579-1591 (1967)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>IonSource carbamylation tutorial</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.ionsource.com/Card/carbam/carbam.htm</umod:url>
+         </umod:xref>
+         <umod:misc_notes>Carbamylation is an irreversible process of non-enzymatic modification of proteins by the breakdown products of urea isocyanic acid reacts with the N-term of a proteine or side chains of lysine and arginine residues</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Carboxymethyl" full_name="Iodoacetic acid derivative"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 10:21:50"
+                approved="1"
+                record_id="6">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Artefact"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative"
+                           spec_group="4">
+            <umod:misc_notes>Hydroxylethanone</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="58.005479" avge_mass="58.0361" composition="H(2) C(2) O(2)">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="2"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:alt_name>Carboxymethylation</umod:alt_name>
+      </umod:mod>
+      <umod:mod title="Deamidated" full_name="Deamidation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-05-12 08:53:06"
+                approved="0"
+                record_id="7">
+         <umod:specificity hidden="0" site="Q" position="Anywhere" classification="Artefact"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational"
+                           spec_group="2">
+            <umod:misc_notes>Protein which is post-translationally modified by the de-imination of one or more arginine residues; Peptidylarginine deiminase (PAD) converts protein bound to citrulline</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="N" position="Anywhere" classification="Artefact"
+                           spec_group="1">
+            <umod:misc_notes>Convertion of glycosylated asparagine residues upon deglycosylation with PNGase F in H2O</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="F" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="3"/>
+         <umod:delta mono_mass="0.984016" avge_mass="0.9848" composition="H(-1) N(-1) O">
+            <umod:element symbol="H" number="-1"/>
+            <umod:element symbol="N" number="-1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>phenyllactyl from N-term Phe</umod:alt_name>
+         <umod:alt_name>Citrullination</umod:alt_name>
+         <umod:xref>
+            <umod:text>FLAC</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0128</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>CITR</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>IonSource tutorial</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.ionsource.com/Card/Deamidation/deamidation.htm</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0214</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>6838602</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15700232</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>DEAM</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ICAT-G" full_name="Gygi ICAT(TM) d0" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 17:00:43"
+                approved="1"
+                record_id="8">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="486.251206" avge_mass="486.6253"
+                     composition="H(38) C(22) N(4) O(6) S">
+            <umod:element symbol="H" number="38"/>
+            <umod:element symbol="C" number="22"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="6"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>10504701</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Gygi S.P., et. al. Nat Biotechnol. 1999 Oct;17(10):994-9</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ICAT-G:2H(8)" full_name="Gygi ICAT(TM) d8" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 17:01:35"
+                approved="1"
+                record_id="9">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="494.301420" avge_mass="494.6746"
+                     composition="H(30) 2H(8) C(22) N(4) O(6) S">
+            <umod:element symbol="H" number="30"/>
+            <umod:element symbol="2H" number="8"/>
+            <umod:element symbol="C" number="22"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="6"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>10504701</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Gygi S.P., et. al. Nat Biotechnol. 1999 Oct;17(10):994-9</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Met-&gt;Hse" full_name="Homoserine" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-13 15:40:08"
+                approved="1"
+                record_id="10">
+         <umod:specificity hidden="0" site="M" position="Any C-term" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-29.992806" avge_mass="-30.0922" composition="H(-2) C(-1) O S(-1)">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="C" number="-1"/>
+            <umod:element symbol="O" number="1"/>
+            <umod:element symbol="S" number="-1"/>
+         </umod:delta>
+         <umod:misc_notes>Cyanogen bromide (CNBr) cleavage converts the C-term Met to either homoserine or homoserine lactone, depending on pH.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Met-&gt;Hsl" full_name="Homoserine lactone" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-11-14 11:10:15"
+                approved="0"
+                record_id="11">
+         <umod:specificity hidden="0" site="M" position="Any C-term" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-48.003371" avge_mass="-48.1075" composition="H(-4) C(-1) S(-1)">
+            <umod:element symbol="H" number="-4"/>
+            <umod:element symbol="C" number="-1"/>
+            <umod:element symbol="S" number="-1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Donald Voet, Judith G. Voet (1995): Biochemistry; p 115</umod:text>
+            <umod:source>Book</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Cyanogen bromide (CNBr) cleavage converts the C-term Met to either homoserine or homoserine lactone, depending on pH.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="ICAT-D:2H(8)" full_name="Applied Biosystems original ICAT(TM) d8"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 16:56:23"
+                approved="1"
+                record_id="12">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="450.275205" avge_mass="450.6221"
+                     composition="H(26) 2H(8) C(20) N(4) O(5) S">
+            <umod:element symbol="H" number="26"/>
+            <umod:element symbol="2H" number="8"/>
+            <umod:element symbol="C" number="20"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:Ignore mono_mass="227.085423" avge_mass="227.3033"
+                      composition="H(15) C(10) N(2) O(2) S ">
+            <umod:element symbol="H" number="15"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="288.16838" avge_mass="288.4223"
+                      composition="H(18) 2H(4) C(13) N(3) O(2) S ">
+            <umod:element symbol="H" number="18"/>
+            <umod:element symbol="2H" number="4"/>
+            <umod:element symbol="C" number="13"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="332.194594" avge_mass="332.4749"
+                      composition="H(22) 2H(4) C(15) N(3) O(3) S ">
+            <umod:element symbol="H" number="22"/>
+            <umod:element symbol="2H" number="4"/>
+            <umod:element symbol="C" number="15"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="411.288115" avge_mass="411.6092"
+                      composition="H(27) 2H(8) C(18) N(4) O(4) S ">
+            <umod:element symbol="H" number="27"/>
+            <umod:element symbol="2H" number="8"/>
+            <umod:element symbol="C" number="18"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="4"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="485.270751" avge_mass="485.7109"
+                      composition="H(29) 2H(8) C(20) N(4) O(5) S(2) ">
+            <umod:element symbol="H" number="29"/>
+            <umod:element symbol="2H" number="8"/>
+            <umod:element symbol="C" number="20"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="2"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="509.270751" avge_mass="509.7323"
+                      composition="H(29) 2H(8) C(22) N(4) O(5) S(2) ">
+            <umod:element symbol="H" number="29"/>
+            <umod:element symbol="2H" number="8"/>
+            <umod:element symbol="C" number="22"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="2"/>
+         </umod:Ignore>
+         <umod:xref>
+            <umod:text>Structure</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/images/icat_reagent.gif</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Molecular &amp; Cellular Proteomics 2:428-442, 2003</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://www.mcponline.org/cgi/content/full/2/7/428</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ICAT-D" full_name="Applied Biosystems original ICAT(TM) d0"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 16:53:48"
+                approved="1"
+                record_id="13">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="442.224991" avge_mass="442.5728"
+                     composition="H(34) C(20) N(4) O(5) S">
+            <umod:element symbol="H" number="34"/>
+            <umod:element symbol="C" number="20"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:Ignore mono_mass="227.085423" avge_mass="227.3033"
+                      composition="H(15) C(10) N(2) O(2) S ">
+            <umod:element symbol="H" number="15"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="284.143273" avge_mass="284.3977"
+                      composition="H(22) C(13) N(3) O(2) S ">
+            <umod:element symbol="H" number="22"/>
+            <umod:element symbol="C" number="13"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="328.169488" avge_mass="328.4502"
+                      composition="H(26) C(15) N(3) O(3) S ">
+            <umod:element symbol="H" number="26"/>
+            <umod:element symbol="C" number="15"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="403.237901" avge_mass="403.5599"
+                      composition="H(35) C(18) N(4) O(4) S ">
+            <umod:element symbol="H" number="35"/>
+            <umod:element symbol="C" number="18"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="4"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="477.220537" avge_mass="477.6616"
+                      composition="H(37) C(20) N(4) O(5) S(2) ">
+            <umod:element symbol="H" number="37"/>
+            <umod:element symbol="C" number="20"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="2"/>
+         </umod:Ignore>
+         <umod:Ignore mono_mass="501.220537" avge_mass="501.683"
+                      composition="H(37) C(22) N(4) O(5) S(2) ">
+            <umod:element symbol="H" number="37"/>
+            <umod:element symbol="C" number="22"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="2"/>
+         </umod:Ignore>
+         <umod:xref>
+            <umod:text>Structure</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/images/icat_reagent.gif</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Molecular &amp; Cellular Proteomics 2:428-442, 2003</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://www.mcponline.org/cgi/content/full/2/7/428</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="NIPCAM" full_name="N-isopropylcarboxamidomethyl"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 12:39:14"
+                approved="1"
+                record_id="17">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="99.068414" avge_mass="99.1311" composition="H(9) C(5) N O">
+            <umod:element symbol="H" number="9"/>
+            <umod:element symbol="C" number="5"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Dimethylacrylamide, DMA</umod:alt_name>
+         <umod:xref>
+            <umod:text>Krutzsch and Inman, Analytical Biochemistry, 209, 109-116, (1993)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Galvani et.al. (2000) Electrophoresis vol 22 p2046-p2074</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>8465942</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11465505</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="PEO-Iodoacetyl-LC-Biotin"
+                full_name="Biotinyl-iodoacetamidyl-3,6-dioxaoctanediamine"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-11-14 11:40:00"
+                approved="0"
+                record_id="20">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="414.193691" avge_mass="414.5196"
+                     composition="H(30) C(18) N(4) O(5) S">
+            <umod:element symbol="H" number="30"/>
+            <umod:element symbol="C" number="18"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Pierce EZ-Link PEO-Iodoacetyl Biotin</umod:alt_name>
+         <umod:xref>
+            <umod:text>12038753</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>J. Biol. Chem., Vol. 278, Issue 7, 4500-4509, February 14, 2003</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://www.jbc.org/cgi/content/full/278/7/4500#F1</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15253424</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Phospho" full_name="Phosphorylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-25 10:55:54"
+                approved="1"
+                record_id="21">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="5">
+            <umod:misc_notes>Rare</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational"
+                           spec_group="4">
+            <umod:misc_notes>Rare</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational"
+                           spec_group="3">
+            <umod:misc_notes>Rare</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Post-translational"
+                           spec_group="2">
+            <umod:misc_notes>Usually don't see beta elimination of phosphate</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="97.976896" avge_mass="97.9952" flag="false"
+                              composition="H(3) O(4) P">
+               <umod:element symbol="H" number="3"/>
+               <umod:element symbol="O" number="4"/>
+               <umod:element symbol="P" number="1"/>
+            </umod:NeutralLoss>
+            <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/>
+            <umod:NeutralLoss mono_mass="97.976896" avge_mass="97.9952" flag="false"
+                              composition="H(3) O(4) P">
+               <umod:element symbol="H" number="3"/>
+               <umod:element symbol="O" number="4"/>
+               <umod:element symbol="P" number="1"/>
+            </umod:NeutralLoss>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="7">
+            <umod:misc_notes>from ProteinPilot</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="79.966331" avge_mass="79.9799" composition="H O(3) P">
+            <umod:element symbol="H" number="1"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="P" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>PHOS</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0034</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0222</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0039</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0038</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0033</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0037</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>IonSource</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.ionsource.com/Card/phos/phos.htm</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0036</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0035</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Protein which is posttranslationally modified by the attachment of at least one phosphate group usually on serine, threonine or tyrosine residues, but also on aspartic acid or histidine residues.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Dehydrated" full_name="Dehydration" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-11-14 11:05:47"
+                approved="0"
+                record_id="23">
+         <umod:specificity hidden="1" site="D" position="Anywhere" classification="Chemical derivative"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational"
+                           spec_group="5">
+            <umod:misc_notes>beta-elimination</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="4">
+            <umod:misc_notes>beta-elimination</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="3">
+            <umod:misc_notes>beta-elimination</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="N" position="Protein C-term"
+                           classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="Q" position="Protein C-term"
+                           classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="C" position="Any N-term" classification="Artefact"
+                           spec_group="7">
+            <umod:misc_notes>Pyro-carboxymethyl as a delta from Carboxymethyl-Cys</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="-18.010565" avge_mass="-18.0153" composition="H(-2) O(-1)">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="O" number="-1"/>
+         </umod:delta>
+         <umod:alt_name>didehydroalanine</umod:alt_name>
+         <umod:alt_name>C-terminal imide</umod:alt_name>
+         <umod:alt_name>Prompt loss of phosphate from phosphorylated residue</umod:alt_name>
+         <umod:alt_name>D-Succinimide</umod:alt_name>
+         <umod:xref>
+            <umod:text>DHAS</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0303</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0302</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0181</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0182</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>DHB</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Propionamide" full_name="Acrylamide adduct" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2010-12-21 16:57:03"
+                approved="1"
+                record_id="24">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Artefact"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="3"/>
+         <umod:delta mono_mass="71.037114" avge_mass="71.0779" composition="H(5) C(3) N O">
+            <umod:element symbol="H" number="5"/>
+            <umod:element symbol="C" number="3"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>C.-H. Feng, C.-Y. Lu, Analytica Chimica Acta 684 (2011) 80–86</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://dx.doi.org/10.1016/j.aca.2010.10.042</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Pyridylacetyl" full_name="pyridylacetyl" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 12:47:43"
+                approved="1"
+                record_id="25">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="119.037114" avge_mass="119.1207" composition="H(5) C(7) N O">
+            <umod:element symbol="H" number="5"/>
+            <umod:element symbol="C" number="7"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>9276974</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Pyro-carbamidomethyl"
+                full_name="S-carbamoylmethylcysteine cyclization (N-terminus)"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-11-14 11:05:25"
+                approved="0"
+                record_id="26">
+         <umod:specificity hidden="0" site="C" position="Any N-term" classification="Artefact"
+                           spec_group="1"/>
+         <umod:delta mono_mass="39.994915" avge_mass="40.0208" composition="C(2) O">
+            <umod:element symbol="C" number="2"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Carboxymethyl-Cys cyclization (N-terminus)</umod:alt_name>
+         <umod:alt_name>Carbamidomethyl-Cys cyclization (N-terminus)</umod:alt_name>
+         <umod:xref>
+            <umod:text>12643538</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>J. Proteome Res. 1, 181-187 (2002)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Cyclisation of N-term Carbamidomethyl-Cys or Carboxymethyl-Cys. The delta is relative to Cys. For a delta relative to alkylated Cys, see Ammonia-loss and Dehydrated.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Glu-&gt;pyro-Glu" full_name="Pyro-glu from E" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2008-06-05 13:54:56"
+                approved="1"
+                record_id="27">
+         <umod:specificity hidden="0" site="E" position="Any N-term" classification="Artefact"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-18.010565" avge_mass="-18.0153" composition="H(-2) O(-1)">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="O" number="-1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0031</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Miller et.al. Arch. Biochem. Biophy. (1993) 301, 41-52.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>8442665</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PYRE</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Gln-&gt;pyro-Glu" full_name="Pyro-glu from Q" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-13 17:06:57"
+                approved="1"
+                record_id="28">
+         <umod:specificity hidden="0" site="Q" position="Any N-term" classification="Artefact"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-17.026549" avge_mass="-17.0305" composition="H(-3) N(-1)">
+            <umod:element symbol="H" number="-3"/>
+            <umod:element symbol="N" number="-1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0031</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PYRR</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="SMA" full_name="N-Succinimidyl-2-morpholine acetate"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2010-11-03 17:44:14"
+                approved="1"
+                record_id="29">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="127.063329" avge_mass="127.1412" composition="H(9) C(6) N O(2)">
+            <umod:element symbol="H" number="9"/>
+            <umod:element symbol="C" number="6"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>10446193</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Sherman, N. E., Yates, N. A., Shabanowitz, J., Hunt, D. F., Jeffery, W. A., Bartlet-Jones, M., and Pappin, D. J. C. (1995) Proceedings of the 43rd ASMS Conference on Mass Spectrometry and Allied Topics, May 21-26, 1995, Atlanta, GA</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Cation:Na" full_name="Sodium adduct" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-14 19:43:17"
+                approved="1"
+                record_id="30">
+         <umod:specificity hidden="0" site="D" position="Anywhere" classification="Artefact"
+                           spec_group="2"/>
+         <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Artefact"
+                           spec_group="1"/>
+         <umod:specificity hidden="0" site="E" position="Anywhere" classification="Artefact"
+                           spec_group="2"/>
+         <umod:delta mono_mass="21.981943" avge_mass="21.9818" composition="H(-1) Na">
+            <umod:element symbol="H" number="-1"/>
+            <umod:element symbol="Na" number="1"/>
+         </umod:delta>
+         <umod:misc_notes>Proton replaced by sodium cation</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Pyridylethyl" full_name="S-pyridylethylation"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 12:43:38"
+                approved="1"
+                record_id="31">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="105.057849" avge_mass="105.1372" composition="H(7) C(7) N">
+            <umod:element symbol="H" number="7"/>
+            <umod:element symbol="C" number="7"/>
+            <umod:element symbol="N" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>11760118</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Methyl" full_name="Methylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-14 10:32:35"
+                approved="1"
+                record_id="34">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="14"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="13"/>
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="10"/>
+         <umod:specificity hidden="0" site="E" position="Anywhere" classification="Post-translational"
+                           spec_group="12"/>
+         <umod:specificity hidden="0" site="D" position="Anywhere" classification="Post-translational"
+                           spec_group="12"/>
+         <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Multiple"
+                           spec_group="11"/>
+         <umod:specificity hidden="1" site="L" position="Anywhere" classification="Post-translational"
+                           spec_group="9"/>
+         <umod:specificity hidden="1" site="I" position="Anywhere" classification="Post-translational"
+                           spec_group="8"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational"
+                           spec_group="7"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Post-translational"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="1"/>
+         </umod:delta>
+         <umod:alt_name>methyl ester</umod:alt_name>
+         <umod:xref>
+            <umod:text>METH</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0318</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0338</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0064</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0061</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0063</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0065</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0069</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0336</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0305</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0272</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0076</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0071</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0070</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0073</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0234</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0273</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0317</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0337</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0299</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0072</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11875433</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0105</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Oxidation" full_name="Oxidation or Hydroxylation"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2008-02-15 05:37:07"
+                approved="0"
+                record_id="35">
+         <umod:specificity hidden="0" site="W" position="Anywhere" classification="Artefact"
+                           spec_group="10"/>
+         <umod:specificity hidden="0" site="H" position="Anywhere" classification="Artefact"
+                           spec_group="10"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="9">
+            <umod:misc_notes>Cysteine sulfenic acid</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="M" position="Anywhere" classification="Artefact"
+                           spec_group="8">
+            <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/>
+            <umod:NeutralLoss mono_mass="63.998285" avge_mass="64.1069" flag="false" composition="H(4) C O S">
+               <umod:element symbol="H" number="4"/>
+               <umod:element symbol="C" number="1"/>
+               <umod:element symbol="O" number="1"/>
+               <umod:element symbol="S" number="1"/>
+            </umod:NeutralLoss>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational"
+                           spec_group="7"/>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="F" position="Anywhere" classification="Artefact"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="P" position="Anywhere" classification="Post-translational"
+                           spec_group="4">
+            <umod:misc_notes>Proline oxidation to glutamic semialdehyde</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="G" position="Any C-term" classification="Pre-translational"
+                           spec_group="11">
+            <umod:misc_notes>Hydroxyglycine derivative in amidation pathway</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="15.994915" avge_mass="15.9994" composition="O">
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>HYDR</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0322</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11212008</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11120890</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>DOPA</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>CSEA</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14661084</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0026</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15569593</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0205</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0215</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Lagerwerf FM, van de Weert M, Heerma W, Haverkamp J, Rapid Commun Mass Spectrom. 1996;10(15):1905-10</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0029</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0030</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9004526</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0028</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11461766</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0027</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0235</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0146</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14661085</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12781462</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>2057999</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Dimethyl" full_name="di-Methylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2014-11-16 07:37:54"
+                approved="1"
+                record_id="36">
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Isotopic label"
+                           spec_group="6">
+            <umod:misc_notes>When dimethyl labelling is pre-digest</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="P" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Multiple"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)">
+            <umod:element symbol="H" number="4"/>
+            <umod:element symbol="C" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>DIMETH</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0311</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0068</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14570711</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0067</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12964758</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0075</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0066</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Trimethyl" full_name="tri-Methylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2014-09-18 08:55:47"
+                approved="1"
+                record_id="37">
+         <umod:specificity hidden="1" site="A" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="59.073499" avge_mass="59.1103" flag="false"
+                              composition="H(9) C(3) N">
+               <umod:element symbol="H" number="9"/>
+               <umod:element symbol="C" number="3"/>
+               <umod:element symbol="N" number="1"/>
+            </umod:NeutralLoss>
+            <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/>
+         </umod:specificity>
+         <umod:delta mono_mass="42.046950" avge_mass="42.0797" composition="H(6) C(3)">
+            <umod:element symbol="H" number="6"/>
+            <umod:element symbol="C" number="3"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Role of arginine and its methylated derivatives in cancer biology and treatment</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.cancerci.com/content/1/1/3</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>J. Hirota et. al., Rapid Commun. Mass Spectrom., 17 371-6 (2003)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0062</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0074</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12590383</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Zhang, K. et al. 2004. Differentiation between
+
+peptides containing acetylated or tri-methylated
+
+lysines by mass spectrometry: an application
+
+for determining lysine 9 acetylation
+
+and methylation of histone H3. Proteomics
+
+4:1-10.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Explanation of why RESID gives the delta as 43 Da</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://pir.georgetown.edu/resid/faq.shtml#q12</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>TRIMETH</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Methylthio" full_name="Beta-methylthiolation"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-24 16:48:21"
+                approved="0"
+                record_id="39">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Multiple"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Artefact"
+                           spec_group="4"/>
+         <umod:delta mono_mass="45.987721" avge_mass="46.0916" composition="H(2) C S">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="1"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Methyl methanethiosulfonate</umod:alt_name>
+         <umod:alt_name>MMTS</umod:alt_name>
+         <umod:xref>
+            <umod:text>J. A. Kowalak and K. A. Walsh, Protein Science (1996) 5: 1625-1632</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0320</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>8844851</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>TRC data sheet</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.trc-canada.com/white_papers.lasso</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0232</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Applied Biosystems iTRAQ(TM) Reagents Chemistry Reference Guide Part Number 4351918 Rev. A</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04351918.pdf</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0101</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>BMTH</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Sulfo" full_name="O-Sulfonation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2012-02-14 17:50:32"
+                approved="1"
+                record_id="40">
+         <umod:specificity hidden="0" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="79.956815" avge_mass="80.0632" flag="false" composition="O(3) S">
+               <umod:element symbol="O" number="3"/>
+               <umod:element symbol="S" number="1"/>
+            </umod:NeutralLoss>
+            <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="79.956815" avge_mass="80.0632" flag="false" composition="O(3) S">
+               <umod:element symbol="O" number="3"/>
+               <umod:element symbol="S" number="1"/>
+            </umod:NeutralLoss>
+            <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Post-translational"
+                           spec_group="1">
+            <umod:NeutralLoss mono_mass="79.956815" avge_mass="80.0632" flag="false" composition="O(3) S">
+               <umod:element symbol="O" number="3"/>
+               <umod:element symbol="S" number="1"/>
+            </umod:NeutralLoss>
+            <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="2">
+            <umod:misc_notes>Sulfitolysis</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="79.956815" avge_mass="80.0632" composition="O(3) S">
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0172</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14752058</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0362</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Medzihradszky et al., Mol. Cell. Proteomics 2004, 3, 429-440</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>SULF</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0171</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0361</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Hex" full_name="Hexose" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-21 13:57:35"
+                approved="1"
+                record_id="41">
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Other glycosylation"
+                           spec_group="8"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other glycosylation"
+                           spec_group="7"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other glycosylation"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Other glycosylation"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other glycosylation"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Other glycosylation"
+                           spec_group="3">
+            <umod:misc_notes>glycation</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other glycosylation"
+                           spec_group="1">
+            <umod:misc_notes>glycation</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation"
+                           spec_group="9"/>
+         <umod:delta mono_mass="162.052824" avge_mass="162.1406" composition="Hex">
+            <umod:element symbol="H" number="10"/>
+            <umod:element symbol="C" number="6"/>
+            <umod:element symbol="O" number="5"/>
+         </umod:delta>
+         <umod:alt_name>Galactose</umod:alt_name>
+         <umod:alt_name>Glucose</umod:alt_name>
+         <umod:alt_name>Fructose</umod:alt_name>
+         <umod:alt_name>Mannose</umod:alt_name>
+         <umod:xref>
+            <umod:text>CMAN</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0217</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0327</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0157</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0152</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15279557</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>GLUC</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Lipoyl" full_name="Lipoyl" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:06:53"
+                approved="1"
+                record_id="42">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="188.032956" avge_mass="188.3103" composition="H(12) C(8) O S(2)">
+            <umod:element symbol="H" number="12"/>
+            <umod:element symbol="C" number="8"/>
+            <umod:element symbol="O" number="1"/>
+            <umod:element symbol="S" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>PDOC00168</umod:text>
+            <umod:source>Prosite</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0118</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>LIPY</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>3522581</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>This group is normally a substituent on N6 of a lysine residue of an enzyme or other protein</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="HexNAc" full_name="N-Acetylhexosamine" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2014-04-04 10:41:33"
+                approved="1"
+                record_id="43">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other glycosylation"
+                           spec_group="3">
+            <umod:NeutralLoss mono_mass="203.079373" avge_mass="203.1925" flag="false" composition="HexNAc">
+               <umod:element symbol="H" number="13"/>
+               <umod:element symbol="C" number="8"/>
+               <umod:element symbol="N" number="1"/>
+               <umod:element symbol="O" number="5"/>
+            </umod:NeutralLoss>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other glycosylation"
+                           spec_group="2">
+            <umod:NeutralLoss mono_mass="203.079373" avge_mass="203.1925" flag="false" composition="HexNAc">
+               <umod:element symbol="H" number="13"/>
+               <umod:element symbol="C" number="8"/>
+               <umod:element symbol="N" number="1"/>
+               <umod:element symbol="O" number="5"/>
+            </umod:NeutralLoss>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation"
+                           spec_group="1"/>
+         <umod:delta mono_mass="203.079373" avge_mass="203.1925" composition="HexNAc">
+            <umod:element symbol="H" number="13"/>
+            <umod:element symbol="C" number="8"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="5"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0155</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>3086323</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0154</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0151</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>GLCN</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>The amine derivative of a hexose formed by replacing a hydroxyl group with an amino group.(+acetyl group)</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Farnesyl" full_name="Farnesylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:11:38"
+                approved="1"
+                record_id="44">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="204.187801" avge_mass="204.3511" composition="H(24) C(15)">
+            <umod:element symbol="H" number="24"/>
+            <umod:element symbol="C" number="15"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>15609361</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0102</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>FARN</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Myristoyl" full_name="Myristoylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:13:17"
+                approved="1"
+                record_id="45">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="G" position="Any N-term" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="210.198366" avge_mass="210.3556" composition="H(26) C(14) O">
+            <umod:element symbol="H" number="26"/>
+            <umod:element symbol="C" number="14"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>PDOC00008</umod:text>
+            <umod:source>Prosite</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0059</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0307</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0078</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>MYRI</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="PyridoxalPhosphate" full_name="Pyridoxal phosphate"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:35:42"
+                approved="1"
+                record_id="46">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="229.014009" avge_mass="229.1266" composition="H(8) C(8) N O(5) P">
+            <umod:element symbol="H" number="8"/>
+            <umod:element symbol="C" number="8"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="5"/>
+            <umod:element symbol="P" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Biochemistry; D.Voet and J.G.Voet WILEY(p728)</umod:text>
+            <umod:source>Book</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0119</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PLP</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>The co-enzyme derivative of vitamin B6. Forms Schiff\'s bases of substrate amino acids during catalysis of transamination, decarboxylation and racemisation reactions.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Palmitoyl" full_name="Palmitoylation" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:38:43"
+                approved="1"
+                record_id="47">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="5"/>
+         <umod:delta mono_mass="238.229666" avge_mass="238.4088" composition="H(30) C(16) O">
+            <umod:element symbol="H" number="30"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0080</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0079</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0106</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0077</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PALM</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0339</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0060</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Palmitoylation is a post-translational modification that consists in the addition of a 16 carbons fatty acid, palmitate, to a cysteine residue through the creation of a thioester link.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="GeranylGeranyl" full_name="Geranyl-geranyl" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 15:47:48"
+                approved="1"
+                record_id="48">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="272.250401" avge_mass="272.4681" composition="H(32) C(20)">
+            <umod:element symbol="H" number="32"/>
+            <umod:element symbol="C" number="20"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0104</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>15609361</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>GERA</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Phosphopantetheine" full_name="Phosphopantetheine"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 16:00:24"
+                approved="1"
+                record_id="49">
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="340.085794" avge_mass="340.3330"
+                     composition="H(21) C(11) N(2) O(6) P S">
+            <umod:element symbol="H" number="21"/>
+            <umod:element symbol="C" number="11"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="6"/>
+            <umod:element symbol="P" number="1"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0150</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>PPAN</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Protein which contains at least one phosphopantetheine as the prosthetic group. In acyl carrier proteins (ACP) for example, it serves as a \'swinging arm\' for the attachment of activated fatty acid and amino-acid groups.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="FAD" full_name="Flavin adenine dinucleotide" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-16 17:16:18"
+                approved="1"
+                record_id="50">
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="783.141486" avge_mass="783.5339"
+                     composition="H(31) C(27) N(9) O(15) P(2)">
+            <umod:element symbol="H" number="31"/>
+            <umod:element symbol="C" number="27"/>
+            <umod:element symbol="N" number="9"/>
+            <umod:element symbol="O" number="15"/>
+            <umod:element symbol="P" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0143</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Structure</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.aw-bc.com/mathews/EF/FAD.GIF</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0144</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0145</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0221</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>FAD</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Tripalmitate" full_name="N-acyl diglyceride cysteine"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2006-10-18 11:47:54"
+                approved="1"
+                record_id="51">
+         <umod:specificity hidden="1" site="C" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="788.725777" avge_mass="789.3049" composition="H(96) C(51) O(5)">
+            <umod:element symbol="H" number="96"/>
+            <umod:element symbol="C" number="51"/>
+            <umod:element symbol="O" number="5"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>10356335</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Guanidinyl" full_name="Guanidination" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2011-11-21 13:56:40"
+                approved="1"
+                record_id="52">
+         <umod:specificity hidden="0" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:delta mono_mass="42.021798" avge_mass="42.0400" composition="H(2) C N(2)">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="1"/>
+            <umod:element symbol="N" number="2"/>
+         </umod:delta>
+         <umod:alt_name>homoarginine</umod:alt_name>
+         <umod:xref>
+            <umod:text>11821862</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>ASMS 2001 abstract</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.indiana.edu/~reillyjp/ASMS2001posters/beardsley_poster.pdf</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11078590</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11085420</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Anal. Biochem. 287, p110-117, 2000</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Specific for sidechain of lysine. Does not modify the N-termini except for glycine at a slower rate than the side chain of lysine.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="HNE" full_name="4-hydroxynonenal (HNE)" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-08-19 19:17:11"
+                date_time_modified="2012-03-09 11:21:00"
+                approved="1"
+                record_id="53">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="A" position="Anywhere" classification="Post-translational"
+                           spec_group="4">
+            <umod:misc_notes>GFAP from human brain tissues</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="L" position="Anywhere" classification="Post-translational"
+                           spec_group="5">
+            <umod:misc_notes>GFAP from human brain tissues</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="156.115030" avge_mass="156.2221" composition="H(16) C(9) O(2)">
+            <umod:element symbol="H" number="16"/>
+            <umod:element symbol="C" number="9"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>11327326</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Poli G, Schaur RJ., IUBMB Life 2000 Oct-Nov;50(4-5):315-21</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>A lipid-type modification. HNE forms a Michael addition product on Cysteine, Histidine and Lysines. Unusually, it doesn\'t replace a hydrogen on the amino acid side chain.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Glucuronyl" full_name="N-glucuronylation" username_of_poster="jcottrell"
+                group_of_poster="users"
+                date_time_posted="2002-10-01 21:36:48"
+                date_time_modified="2006-10-16 17:26:21"
+                approved="1"
+                record_id="54">
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational"
+                           spec_group="2"/>
+         <umod:delta mono_mass="176.032088" avge_mass="176.1241" composition="H(8) C(6) O(6)">
+            <umod:element symbol="H" number="8"/>
+            <umod:element symbol="C" number="6"/>
+            <umod:element symbol="O" number="6"/>
+         </umod:delta>
+         <umod:alt_name>glucuronosyl</umod:alt_name>
+         <umod:xref>
+            <umod:text>AA0291</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0058</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Lin, T.S. Kolattukudy, P.E., Eur. J. Biochem. 106, 341-351, 1980</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>7398618</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>The addition of a sugar unit to a protein amino acid, e.g. the addition of glycan chains to proteins. Addition of glucuronic acid. Observed for N-term G</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Glutathione" full_name="glutathione disulfide"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2002-10-03 09:10:19"
+                date_time_modified="2006-10-16 15:51:52"
+                approved="1"
+                record_id="55">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="305.068156" avge_mass="305.3076"
+                     composition="H(15) C(10) N(3) O(6) S">
+            <umod:element symbol="H" number="15"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="6"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>3083866</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>8344916</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>AA0229</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>GLUT</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Acetyl:2H(3)"
+                full_name="Acetate labeling reagent (N-term &amp; K) (heavy form, +3amu)"
+                username_of_poster="penner"
+                group_of_poster="users"
+                date_time_posted="2002-10-16 16:41:56"
+                date_time_modified="2011-11-21 10:07:03"
+                approved="1"
+                record_id="56">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Isotopic label"
+                           spec_group="5"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Isotopic label"
+                           spec_group="4"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Isotopic label"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label"
+                           spec_group="6"/>
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Isotopic label"
+                           spec_group="7"/>
+         <umod:delta mono_mass="45.029395" avge_mass="45.0552" composition="H(-1) 2H(3) C(2) O">
+            <umod:element symbol="H" number="-1"/>
+            <umod:element symbol="2H" number="3"/>
+            <umod:element symbol="C" number="2"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>N-trideuteriumacetoxy</umod:alt_name>
+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11999733</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12175151</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Global internal standard technology for comparative proteomics.     Chakraborty, Asish; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Journal of Chromatography, A  (2002),  949(1-2),  173-184.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Propionyl"
+                full_name="Propionate labeling reagent light form (N-term &amp; K)"
+                username_of_poster="penner"
+                group_of_poster="users"
+                date_time_posted="2002-10-16 16:52:38"
+                date_time_modified="2011-11-25 11:01:23"
+                approved="1"
+                record_id="58">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
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+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
+            <umod:source>Journal</umod:source>
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+         <umod:xref>
+            <umod:text>12175151</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+            <umod:text>11999733</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>Global internal standard technology for comparative proteomics.     Chakraborty, Asish; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Journal of Chromatography, A  (2002),  949(1-2),  173-184.</umod:text>
+            <umod:source>Journal</umod:source>
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+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
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+         <umod:xref>
+            <umod:text>Global internal standard technology for comparative proteomics.     Chakraborty, Asish; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Journal of Chromatography, A  (2002),  949(1-2),  173-184.</umod:text>
+            <umod:source>Journal</umod:source>
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+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12175151</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11999733</umod:text>
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+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+      <umod:mod title="Succinyl"
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+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>12175151</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>AA0130</umod:text>
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+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+         <umod:xref>
+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12175151</umod:text>
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+            <umod:text>Controlling Deuterium isotope effects in comparative proteomics.     Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E..    Department of Chemistry,  Purdue University,  West Lafayette,  IN,  USA.    Analytical Chemistry  (2</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
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+            <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection.     Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A.    Department of Chemistry,  Pu</umod:text>
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+            <umod:text>11857757</umod:text>
+            <umod:source>PubMed PMID</umod:source>
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+            <umod:text>12175151</umod:text>
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+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Pro-&gt;pyro-Glu" full_name="proline oxidation to pyroglutamic acid"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:58:42"
+                date_time_modified="2006-10-14 10:03:34"
+                approved="1"
+                record_id="359">
+         <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="13.979265" avge_mass="13.9835" composition="H(-2) O">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>10717661</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="His-&gt;Asn" full_name="His-&gt;Asn substitution" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:43:27"
+                date_time_modified="2011-06-23 12:00:22"
+                approved="1"
+                record_id="348">
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution"
+                           spec_group="1">
+            <umod:misc_notes>Could also be classed as chemical derivative</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="-23.015984" avge_mass="-23.0366" composition="H(-1) C(-2) N(-1) O">
+            <umod:element symbol="H" number="-1"/>
+            <umod:element symbol="C" number="-2"/>
+            <umod:element symbol="N" number="-1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>histidine oxidation to aspargine</umod:alt_name>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="His-&gt;Asp" full_name="His-&gt;Asp substitution" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:44:32"
+                date_time_modified="2011-06-23 12:00:45"
+                approved="1"
+                record_id="349">
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution"
+                           spec_group="1">
+            <umod:misc_notes>Could also be classed as chemical derivative</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="-22.031969" avge_mass="-22.0519"
+                     composition="H(-2) C(-2) N(-2) O(2)">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="C" number="-2"/>
+            <umod:element symbol="N" number="-2"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:alt_name>histidine oxidation to aspartic acid</umod:alt_name>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Trp-&gt;Hydroxykynurenin"
+                full_name="tryptophan oxidation to hydroxykynurenin"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:47:20"
+                date_time_modified="2006-11-14 17:40:45"
+                approved="1"
+                record_id="350">
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="19.989829" avge_mass="19.9881" composition="C(-1) O(2)">
+            <umod:element symbol="C" number="-1"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Degradation of the amino acids Isoleucine, Leucine and Tryptophan</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.lbqp.unb.br/bioq/htm/aulas2D/deg_aa_ile_leu_trp.htm?reload_coolmenus</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Delta:H(4)C(3)" full_name="Propionaldehyde +40"
+                username_of_poster="fatcat"
+                group_of_poster="users"
+                date_time_posted="2004-08-12 20:04:01"
+                date_time_modified="2010-02-25 10:49:55"
+                approved="1"
+                record_id="256">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term" classification="Other"
+                           spec_group="3"/>
+         <umod:delta mono_mass="40.031300" avge_mass="40.0639" composition="H(4) C(3)">
+            <umod:element symbol="H" number="4"/>
+            <umod:element symbol="C" number="3"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="Delta:H(4)C(2)" full_name="Acetaldehyde +28" username_of_poster="fatcat"
+                group_of_poster="users"
+                date_time_posted="2004-08-12 20:02:38"
+                date_time_modified="2011-11-21 13:14:58"
+                approved="1"
+                record_id="255">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Other"
+                           spec_group="3"/>
+         <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)">
+            <umod:element symbol="H" number="4"/>
+            <umod:element symbol="C" number="2"/>
+         </umod:delta>
+         <umod:misc_notes>Reduction of Schiff base formed between K amino group and acetaldehyde</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Cys-&gt;Dha" full_name="Dehydroalanine (from Cysteine)"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-10-02 17:31:11"
+                date_time_modified="2006-10-13 15:27:46"
+                approved="1"
+                record_id="368">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-33.987721" avge_mass="-34.0809" composition="H(-2) S(-1)">
+            <umod:element symbol="H" number="-2"/>
+            <umod:element symbol="S" number="-1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>11212008</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Arg-&gt;GluSA" full_name="Arginine oxidation to glutamic semialdehyde"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:38:24"
+                date_time_modified="2006-11-16 15:25:28"
+                approved="1"
+                record_id="344">
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-43.053433" avge_mass="-43.0711" composition="H(-5) C(-1) N(-3) O">
+            <umod:element symbol="H" number="-5"/>
+            <umod:element symbol="C" number="-1"/>
+            <umod:element symbol="N" number="-3"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:alt_name>Arginine oxidation to gamma-glutamyl semialdehyde</umod:alt_name>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Jesus Requena, Chien-Chung Chao, Rodney L. Levine, and Earl R. Stadtman, Glutamic and aminoadipic semialdehydes are the main carbonyl products of metal-catalyzed oxidation of proteins, PNAS 98 69-74 (2001)</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://www.pnas.org/cgi/content/full/98/1/69</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>1680314</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Trioxidation" full_name="cysteine oxidation to cysteic acid"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:39:38"
+                date_time_modified="2011-11-25 11:17:41"
+                approved="1"
+                record_id="345">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative"
+                           spec_group="3"/>
+         <umod:delta mono_mass="47.984744" avge_mass="47.9982" composition="O(3)">
+            <umod:element symbol="O" number="3"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>14678012</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Iminobiotin" full_name="Iminobiotinylation"
+                username_of_poster="toppolzer"
+                group_of_poster="users"
+                date_time_posted="2002-11-25 16:01:48"
+                date_time_modified="2006-10-16 15:26:37"
+                approved="1"
+                record_id="89">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="225.093583" avge_mass="225.3106" composition="H(15) C(10) N(3) O S">
+            <umod:element symbol="H" number="15"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="1"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>9750125</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ESP" full_name="ESP-Tag light d0" username_of_poster="toppolzer"
+                group_of_poster="users"
+                date_time_posted="2002-11-25 16:12:50"
+                date_time_modified="2006-10-16 15:58:19"
+                approved="1"
+                record_id="90">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="338.177647" avge_mass="338.4682"
+                     composition="H(26) C(16) N(4) O(2) S">
+            <umod:element symbol="H" number="26"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Poster abstract P-48</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.wzw.tum.de/proteomik/forum2003/Posters-Abstracts.pdf</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ESP:2H(10)" full_name="ESP-Tag heavy d10" username_of_poster="toppolzer"
+                group_of_poster="users"
+                date_time_posted="2002-11-25 16:18:58"
+                date_time_modified="2006-10-16 16:03:06"
+                approved="1"
+                record_id="91">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="348.240414" avge_mass="348.5299"
+                     composition="H(16) 2H(10) C(16) N(4) O(2) S">
+            <umod:element symbol="H" number="16"/>
+            <umod:element symbol="2H" number="10"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Poster abstract P-48</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.wzw.tum.de/proteomik/forum2003/Posters-Abstracts.pdf</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="NHS-LC-Biotin" full_name="NHS-LC-Biotin" username_of_poster="toppolzer"
+                group_of_poster="users"
+                date_time_posted="2002-12-04 09:55:19"
+                date_time_modified="2006-11-14 11:14:57"
+                approved="0"
+                record_id="92">
+         <umod:specificity hidden="1" site="N-term" position="Any N-term"
+                           classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="339.161662" avge_mass="339.4530"
+                     composition="H(25) C(16) N(3) O(3) S">
+            <umod:element symbol="H" number="25"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Introduction to Protein Labeling</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>EZ-Link Sulfo-NHS-Biotin Reagents</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=8D38BA83-EFDC-421A-853F-E96EBA380612</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="EDT-maleimide-PEO-biotin" full_name="EDT-maleimide-PEO-biotin"
+                username_of_poster="take"
+                group_of_poster="users"
+                date_time_posted="2002-12-27 09:08:56"
+                date_time_modified="2006-11-14 11:15:06"
+                approved="0"
+                record_id="93">
+         <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="601.206246" avge_mass="601.8021"
+                     composition="H(39) C(25) N(5) O(6) S(3)">
+            <umod:element symbol="H" number="39"/>
+            <umod:element symbol="C" number="25"/>
+            <umod:element symbol="N" number="5"/>
+            <umod:element symbol="O" number="6"/>
+            <umod:element symbol="S" number="3"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>EZ-Link Maleimide PEOn-Biotin (n = 2 and 11)</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=01031005</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="IMID" full_name="IMID d0" username_of_poster="Liao"
+                group_of_poster="users"
+                date_time_posted="2003-01-09 04:14:06"
+                date_time_modified="2006-10-16 10:33:45"
+                approved="1"
+                record_id="94">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="68.037448" avge_mass="68.0773" composition="H(4) C(3) N(2)">
+            <umod:element symbol="H" number="4"/>
+            <umod:element symbol="C" number="3"/>
+            <umod:element symbol="N" number="2"/>
+         </umod:delta>
+         <umod:alt_name>2-methoxy-4,5-dihydro-1H-imidazole derivative</umod:alt_name>
+         <umod:alt_name>Lys imidazole</umod:alt_name>
+         <umod:xref>
+            <umod:text>11746907</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Rapid Communications in Mass Spectrometry, Volume 15, Issue 24 , Pages 2387 - 2392</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://dx.doi.org/10.1002/rcm.517</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Agilent Lys Tag 4H Reagent Kit</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chem.agilent.com/cag/lystag.asp</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Poster: Kelly Zhang, Gordon Nicol, Nina Zolotarjova, Cory Szafranski, Jerome Bailey, Liang-Sheng Yang, and Barry Boyes</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chem.agilent.com/cag/other/IMTHUPO2003.pdf</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="IMID:2H(4)" full_name="IMID d4" username_of_poster="Liao"
+                group_of_poster="users"
+                date_time_posted="2003-01-09 04:15:25"
+                date_time_modified="2006-10-16 11:06:13"
+                approved="1"
+                record_id="95">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="72.062555" avge_mass="72.1019" composition="2H(4) C(3) N(2)">
+            <umod:element symbol="2H" number="4"/>
+            <umod:element symbol="C" number="3"/>
+            <umod:element symbol="N" number="2"/>
+         </umod:delta>
+         <umod:alt_name>2-methoxy-4,5-dihydro-1H-imidazole derivative</umod:alt_name>
+         <umod:xref>
+            <umod:text>Rapid Communications in Mass Spectrometry, Volume 15, Issue 24 , Pages 2387 - 2392</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url>http://dx.doi.org/10.1002/rcm.517</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Agilent Lys Tag 4H Reagent Kit</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chem.agilent.com/cag/lystag.asp</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11746907</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Poster: Kelly Zhang, Gordon Nicol, Nina Zolotarjova, Cory Szafranski, Jerome Bailey, Liang-Sheng Yang, and Barry Boyes</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chem.agilent.com/cag/other/IMTHUPO2003.pdf</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Lysbiotinhydrazide"
+                full_name="oxidized Lysine biotinylated with biotin hydrazide"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:51:13"
+                date_time_modified="2006-11-14 12:12:01"
+                approved="0"
+                record_id="353">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="241.088497" avge_mass="241.3100"
+                     composition="H(15) C(10) N(3) O(2) S">
+            <umod:element symbol="H" number="15"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Propionamide:2H(3)" full_name="Acrylamide d3" username_of_poster="Liao"
+                group_of_poster="users"
+                date_time_posted="2003-01-14 08:10:30"
+                date_time_modified="2006-10-16 11:07:07"
+                approved="1"
+                record_id="97">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="74.055944" avge_mass="74.0964" composition="H(2) 2H(3) C(3) N O">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="2H" number="3"/>
+            <umod:element symbol="C" number="3"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="Nitro" full_name="Oxidation to nitro" username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:52:38"
+                date_time_modified="2006-10-16 10:02:15"
+                approved="1"
+                record_id="354">
+         <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="44.985078" avge_mass="44.9976" composition="H(-1) N O(2)">
+            <umod:element symbol="H" number="-1"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>8839040</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ICAT-C" full_name="Applied Biosystems cleavable ICAT(TM) light"
+                username_of_poster="tpjd2"
+                group_of_poster="users"
+                date_time_posted="2003-01-27 10:27:11"
+                date_time_modified="2006-10-16 15:32:17"
+                approved="1"
+                record_id="105">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="227.126991" avge_mass="227.2603" composition="H(17) C(10) N(3) O(3)">
+            <umod:element symbol="H" number="17"/>
+            <umod:element symbol="C" number="10"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="3"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>ICAT page from the Royal Society of Chemistry</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Applied Biosystems product page</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&amp;catID=600902</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Delta:H(2)C(2)" full_name="Acetaldehyde +26" username_of_poster="fatcat"
+                group_of_poster="users"
+                date_time_posted="2004-08-12 20:01:03"
+                date_time_modified="2011-11-21 13:14:17"
+                approved="1"
+                record_id="254">
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term" classification="Other"
+                           spec_group="3"/>
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/>
+         <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/>
+         <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Other"
+                           spec_group="4"/>
+         <umod:delta mono_mass="26.015650" avge_mass="26.0373" composition="H(2) C(2)">
+            <umod:element symbol="H" number="2"/>
+            <umod:element symbol="C" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>7744761</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:misc_notes>Lys modification is formation of Schiff base.</umod:misc_notes>
+      </umod:mod>
+      <umod:mod title="Trp-&gt;Kynurenin" full_name="tryptophan oxidation to kynurenin"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:48:33"
+                date_time_modified="2006-10-14 09:39:53"
+                approved="1"
+                record_id="351">
+         <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="3.994915" avge_mass="3.9887" composition="C(-1) O">
+            <umod:element symbol="C" number="-1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Lys-&gt;Allysine" full_name="Lysine oxidation to aminoadipic semialdehyde"
+                username_of_poster="unimod"
+                group_of_poster="admin"
+                date_time_posted="2005-09-10 22:49:59"
+                date_time_modified="2006-10-13 18:27:28"
+                approved="1"
+                record_id="352">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational"
+                           spec_group="1"/>
+         <umod:delta mono_mass="-1.031634" avge_mass="-1.0311" composition="H(-3) N(-1) O">
+            <umod:element symbol="H" number="-3"/>
+            <umod:element symbol="N" number="-1"/>
+            <umod:element symbol="O" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0121</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>ALLYS</umod:text>
+            <umod:source>FindMod</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>9252331</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11120890</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="ICAT-C:13C(9)" full_name="Applied Biosystems cleavable ICAT(TM) heavy"
+                username_of_poster="tpjd2"
+                group_of_poster="users"
+                date_time_posted="2003-01-27 10:32:53"
+                date_time_modified="2006-10-16 15:34:14"
+                approved="1"
+                record_id="106">
+         <umod:specificity hidden="0" site="C" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:delta mono_mass="236.157185" avge_mass="236.1942"
+                     composition="H(17) C 13C(9) N(3) O(3)">
+            <umod:element symbol="H" number="17"/>
+            <umod:element symbol="C" number="1"/>
+            <umod:element symbol="13C" number="9"/>
+            <umod:element symbol="N" number="3"/>
+            <umod:element symbol="O" number="3"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Applied Biosystems product page</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&amp;catID=600902</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>ICAT page from the Royal Society of Chemistry</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="FormylMet" full_name="Addition of N-formyl met"
+                username_of_poster="jphilip"
+                group_of_poster="users"
+                date_time_posted="2003-01-27 18:24:14"
+                date_time_modified="2006-10-16 14:08:15"
+                approved="1"
+                record_id="107">
+         <umod:specificity hidden="1" site="N-term" position="Protein N-term"
+                           classification="Pre-translational"
+                           spec_group="1">
+            <umod:misc_notes>only with Listeria monocytogenes (gram-positive bacteria)</umod:misc_notes>
+         </umod:specificity>
+         <umod:delta mono_mass="159.035399" avge_mass="159.2062" composition="H(9) C(6) N O(2) S">
+            <umod:element symbol="H" number="9"/>
+            <umod:element symbol="C" number="6"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="2"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>AA0021</umod:text>
+            <umod:source>RESID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>10825024</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>8758896</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Nethylmaleimide" full_name="N-ethylmaleimide on cysteines"
+                username_of_poster="Pflieger"
+                group_of_poster="users"
+                date_time_posted="2003-01-30 09:52:51"
+                date_time_modified="2006-10-16 13:36:10"
+                approved="1"
+                record_id="108">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="125.047679" avge_mass="125.1253" composition="H(7) C(6) N O(2)">
+            <umod:element symbol="H" number="7"/>
+            <umod:element symbol="C" number="6"/>
+            <umod:element symbol="N" number="1"/>
+            <umod:element symbol="O" number="2"/>
+         </umod:delta>
+         <umod:alt_name>CysNEM</umod:alt_name>
+         <umod:xref>
+            <umod:text>reaction</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.chemistry.ucsc.edu/~fink/231/Image118.gif</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>12777388</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11813307</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="OxLysBiotinRed"
+                full_name="Oxidized lysine biotinylated with biotin-LC-hydrazide, reduced"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 00:53:43"
+                date_time_modified="2006-11-14 12:10:49"
+                approved="0"
+                record_id="112">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="354.172562" avge_mass="354.4676"
+                     composition="H(26) C(16) N(4) O(3) S">
+            <umod:element symbol="H" number="26"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="IBTP" full_name="Thio Ether Formation - BTP Adduct"
+                username_of_poster="MRCDunn"
+                group_of_poster="users"
+                date_time_posted="2003-03-13 09:36:40"
+                date_time_modified="2006-10-16 15:52:42"
+                approved="1"
+                record_id="119">
+         <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="316.138088" avge_mass="316.3759" composition="H(21) C(22) P">
+            <umod:element symbol="H" number="21"/>
+            <umod:element symbol="C" number="22"/>
+            <umod:element symbol="P" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>J. Biol. Chem 2002 vol277 pp17048-17056</umod:text>
+            <umod:source>Journal</umod:source>
+            <umod:url/>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>11861642</umod:text>
+            <umod:source>PubMed PMID</umod:source>
+            <umod:url/>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="OxLysBiotin"
+                full_name="Oxidized lysine biotinylated with biotin-LC-hydrazide"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 01:25:11"
+                date_time_modified="2006-11-14 12:10:53"
+                approved="0"
+                record_id="113">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="352.156911" avge_mass="352.4518"
+                     composition="H(24) C(16) N(4) O(3) S">
+            <umod:element symbol="H" number="24"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="4"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="OxProBiotinRed"
+                full_name="Oxidized proline biotinylated with biotin-LC-hydrazide, reduced"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 01:34:28"
+                date_time_modified="2006-11-14 12:11:11"
+                approved="0"
+                record_id="114">
+         <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="371.199111" avge_mass="371.4982"
+                     composition="H(29) C(16) N(5) O(3) S">
+            <umod:element symbol="H" number="29"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="5"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="OxProBiotin"
+                full_name="Oxidized Proline biotinylated with biotin-LC-hydrazide"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 01:35:44"
+                date_time_modified="2006-11-14 12:11:17"
+                approved="0"
+                record_id="115">
+         <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="369.183461" avge_mass="369.4823"
+                     composition="H(27) C(16) N(5) O(3) S">
+            <umod:element symbol="H" number="27"/>
+            <umod:element symbol="C" number="16"/>
+            <umod:element symbol="N" number="5"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="OxArgBiotin"
+                full_name="Oxidized arginine biotinylated with biotin-LC-hydrazide"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 01:41:19"
+                date_time_modified="2011-07-18 11:34:02"
+                approved="0"
+                record_id="116">
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="310.135113" avge_mass="310.4118"
+                     composition="H(22) C(15) N(2) O(3) S">
+            <umod:element symbol="H" number="22"/>
+            <umod:element symbol="C" number="15"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Pierce introduction to biotin</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Nitrogen metabolism</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://themedicalbiochemistrypage.org/nitrogen-metabolism.html</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="OxArgBiotinRed"
+                full_name="Oxidized arginine biotinylated with biotin-LC-hydrazide, reduced"
+                username_of_poster="S_Lee"
+                group_of_poster="users"
+                date_time_posted="2003-02-21 01:43:00"
+                date_time_modified="2011-07-18 11:33:41"
+                approved="0"
+                record_id="117">
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="312.150763" avge_mass="312.4277"
+                     composition="H(24) C(15) N(2) O(3) S">
+            <umod:element symbol="H" number="24"/>
+            <umod:element symbol="C" number="15"/>
+            <umod:element symbol="N" number="2"/>
+            <umod:element symbol="O" number="3"/>
+            <umod:element symbol="S" number="1"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Pierce introduction to biotin</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:url>
+         </umod:xref>
+         <umod:xref>
+            <umod:text>Nitrogen metabolism</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://themedicalbiochemistrypage.org/nitrogen-metabolism.html</umod:url>
+         </umod:xref>
+      </umod:mod>
+      <umod:mod title="Trimethyl:13C(3)2H(9)"
+                full_name="3-fold methylation with fully labelled methyl groups"
+                username_of_poster="unimod"
+                group_of_poster=""
+                date_time_posted="2014-09-17 09:18:49"
+                date_time_modified="2014-09-17 09:18:49"
+                approved="0"
+                record_id="1414">
+         <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label"
+                           spec_group="1"/>
+         <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label"
+                           spec_group="2"/>
+         <umod:delta mono_mass="54.113505" avge_mass="54.1132" composition="H(-3) 2H(9) 13C(3)">
+            <umod:element symbol="H" number="-3"/>
+            <umod:element symbol="2H" number="9"/>
+            <umod:element symbol="13C" number="3"/>
+         </umod:delta>
+      </umod:mod>
+      <umod:mod title="15N-oxobutanoic" full_name="Loss of ammonia (15N)"
+                username_of_poster="fufezan"
+                group_of_poster=""
+                date_time_posted="2014-11-24 13:24:53"
+                date_time_modified="2015-01-12 16:11:40"
+                approved="0"
+                record_id="1419">
+         <umod:specificity hidden="1" site="S" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="2"/>
+         <umod:specificity hidden="1" site="C" position="Any N-term" classification="Artefact"
+                           spec_group="1">
+            <umod:misc_notes>Pyro-carbamidomethyl as a delta from Carbamidomethyl-Cys</umod:misc_notes>
+         </umod:specificity>
+         <umod:specificity hidden="1" site="T" position="Protein N-term"
+                           classification="Post-translational"
+                           spec_group="3"/>
+         <umod:delta mono_mass="-18.023584" avge_mass="-18.0239" composition="H(-3) 15N(-1)">
+            <umod:element symbol="H" number="-3"/>
+            <umod:element symbol="15N" number="-1"/>
+         </umod:delta>
+         <umod:alt_name>pyruvic acid from N-term ser</umod:alt_name>
+         <umod:alt_name>oxobutanoic acid from N term Thr</umod:alt_name>
+      </umod:mod>
+      <umod:mod title="spermidine" full_name="spermidine adduct" username_of_poster="unimod"
+                group_of_poster=""
+                date_time_posted="2015-01-12 16:08:04"
+                date_time_modified="2015-01-12 16:08:04"
+                approved="0"
+                record_id="1421">
+         <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Chemical derivative"
+                           spec_group="1"/>
+         <umod:delta mono_mass="128.131349" avge_mass="128.2153" composition="H(16) C(7) N(2)">
+            <umod:element symbol="H" number="16"/>
+            <umod:element symbol="C" number="7"/>
+            <umod:element symbol="N" number="2"/>
+         </umod:delta>
+         <umod:xref>
+            <umod:text>Uncovering protein polyamination by the spermine‑specific
+
+antiserum and mass spectrometric analysis</umod:text>
+            <umod:source>Misc. URL</umod:source>
+            <umod:url>http://dx.doi.org/10.1007/s00726-014-1879-8</umod:url>
+         </umod:xref>
+      </umod:mod>
+   </umod:modifications>
+   <umod:amino_acids>
+      <umod:aa title="-" three_letter="" full_name="" mono_mass="0.0" avge_mass="0.0"/>
+      <umod:aa title="A" three_letter="Ala" full_name="Alanine" mono_mass="71.037114"
+               avge_mass="71.0779">
+         <umod:element symbol="H" number="5"/>
+         <umod:element symbol="C" number="3"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="R" three_letter="Arg" full_name="Arginine" mono_mass="156.101111"
+               avge_mass="156.1857">
+         <umod:element symbol="H" number="12"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="N" number="4"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="N" three_letter="Asn" full_name="Asparagine" mono_mass="114.042927"
+               avge_mass="114.1026">
+         <umod:element symbol="H" number="6"/>
+         <umod:element symbol="C" number="4"/>
+         <umod:element symbol="N" number="2"/>
+         <umod:element symbol="O" number="2"/>
+      </umod:aa>
+      <umod:aa title="D" three_letter="Asp" full_name="Aspartic acid" mono_mass="115.026943"
+               avge_mass="115.0874">
+         <umod:element symbol="H" number="5"/>
+         <umod:element symbol="C" number="4"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="3"/>
+      </umod:aa>
+      <umod:aa title="C" three_letter="Cys" full_name="Cysteine" mono_mass="103.009185"
+               avge_mass="103.1429">
+         <umod:element symbol="H" number="5"/>
+         <umod:element symbol="C" number="3"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+         <umod:element symbol="S" number="1"/>
+      </umod:aa>
+      <umod:aa title="E" three_letter="Glu" full_name="Glutamic acid" mono_mass="129.042593"
+               avge_mass="129.114">
+         <umod:element symbol="H" number="7"/>
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="3"/>
+      </umod:aa>
+      <umod:aa title="Q" three_letter="Gln" full_name="Glutamine" mono_mass="128.058578"
+               avge_mass="128.1292">
+         <umod:element symbol="H" number="8"/>
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="N" number="2"/>
+         <umod:element symbol="O" number="2"/>
+      </umod:aa>
+      <umod:aa title="G" three_letter="Gly" full_name="Glycine" mono_mass="57.021464"
+               avge_mass="57.0513">
+         <umod:element symbol="H" number="3"/>
+         <umod:element symbol="C" number="2"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="H" three_letter="His" full_name="Histidine" mono_mass="137.058912"
+               avge_mass="137.1393">
+         <umod:element symbol="H" number="7"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="N" number="3"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="I" three_letter="Ile" full_name="Isoleucine" mono_mass="113.084064"
+               avge_mass="113.1576">
+         <umod:element symbol="H" number="11"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="L" three_letter="Leu" full_name="Leucine" mono_mass="113.084064"
+               avge_mass="113.1576">
+         <umod:element symbol="H" number="11"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="K" three_letter="Lys" full_name="Lysine" mono_mass="128.094963"
+               avge_mass="128.1723">
+         <umod:element symbol="H" number="12"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="N" number="2"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="M" three_letter="Met" full_name="Methionine" mono_mass="131.040485"
+               avge_mass="131.1961">
+         <umod:element symbol="H" number="9"/>
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+         <umod:element symbol="S" number="1"/>
+      </umod:aa>
+      <umod:aa title="F" three_letter="Phe" full_name="Phenylalanine" mono_mass="147.068414"
+               avge_mass="147.1739">
+         <umod:element symbol="H" number="9"/>
+         <umod:element symbol="C" number="9"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="P" three_letter="Pro" full_name="Proline" mono_mass="97.052764"
+               avge_mass="97.1152">
+         <umod:element symbol="H" number="7"/>
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="S" three_letter="Ser" full_name="Serine" mono_mass="87.032028"
+               avge_mass="87.0773">
+         <umod:element symbol="H" number="5"/>
+         <umod:element symbol="C" number="3"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="2"/>
+      </umod:aa>
+      <umod:aa title="T" three_letter="Thr" full_name="Threonine" mono_mass="101.047679"
+               avge_mass="101.1039">
+         <umod:element symbol="H" number="7"/>
+         <umod:element symbol="C" number="4"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="2"/>
+      </umod:aa>
+      <umod:aa title="W" three_letter="Trp" full_name="Tryptophan" mono_mass="186.079313"
+               avge_mass="186.2099">
+         <umod:element symbol="H" number="10"/>
+         <umod:element symbol="C" number="11"/>
+         <umod:element symbol="N" number="2"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="Y" three_letter="Tyr" full_name="Tyrosine" mono_mass="163.063329"
+               avge_mass="163.1733">
+         <umod:element symbol="H" number="9"/>
+         <umod:element symbol="C" number="9"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="2"/>
+      </umod:aa>
+      <umod:aa title="V" three_letter="Val" full_name="Valine" mono_mass="99.068414"
+               avge_mass="99.1311">
+         <umod:element symbol="H" number="9"/>
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+      <umod:aa title="N-term" three_letter="N-term" full_name="N-term" mono_mass="1.007825"
+               avge_mass="1.0079">
+         <umod:element symbol="H" number="1"/>
+      </umod:aa>
+      <umod:aa title="C-term" three_letter="C-term" full_name="C-term" mono_mass="17.00274"
+               avge_mass="17.0073">
+         <umod:element symbol="H" number="1"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:aa>
+   </umod:amino_acids>
+   <umod:mod_bricks>
+      <umod:brick title="-" full_name="" mono_mass="0" avge_mass="0"/>
+      <umod:brick title="H" full_name="Hydrogen" mono_mass="1.007825035" avge_mass="1.00794">
+         <umod:element symbol="H" number="1"/>
+      </umod:brick>
+      <umod:brick title="C" full_name="Carbon" mono_mass="12" avge_mass="12.0107">
+         <umod:element symbol="C" number="1"/>
+      </umod:brick>
+      <umod:brick title="N" full_name="Nitrogen" mono_mass="14.003074" avge_mass="14.0067">
+         <umod:element symbol="N" number="1"/>
+      </umod:brick>
+      <umod:brick title="O" full_name="Oxygen" mono_mass="15.99491463" avge_mass="15.9994">
+         <umod:element symbol="O" number="1"/>
+      </umod:brick>
+      <umod:brick title="P" full_name="Phosphorous" mono_mass="30.973762" avge_mass="30.973761">
+         <umod:element symbol="P" number="1"/>
+      </umod:brick>
+      <umod:brick title="S" full_name="Sulphur" mono_mass="31.9720707" avge_mass="32.065">
+         <umod:element symbol="S" number="1"/>
+      </umod:brick>
+      <umod:brick title="2H" full_name="Deuterium" mono_mass="2.014101779"
+                  avge_mass="2.014101779">
+         <umod:element symbol="2H" number="1"/>
+      </umod:brick>
+      <umod:brick title="18O" full_name="Oxygen 18" mono_mass="17.9991603" avge_mass="17.9991603">
+         <umod:element symbol="18O" number="1"/>
+      </umod:brick>
+      <umod:brick title="F" full_name="Fluorine" mono_mass="18.99840322" avge_mass="18.9984032">
+         <umod:element symbol="F" number="1"/>
+      </umod:brick>
+      <umod:brick title="Na" full_name="Sodium" mono_mass="22.9897677" avge_mass="22.98977">
+         <umod:element symbol="Na" number="1"/>
+      </umod:brick>
+      <umod:brick title="Se" full_name="Selenium" mono_mass="79.9165196" avge_mass="78.96">
+         <umod:element symbol="Se" number="1"/>
+      </umod:brick>
+      <umod:brick title="Hex" full_name="Hexose" mono_mass="162.0528235" avge_mass="162.1406">
+         <umod:element symbol="H" number="10"/>
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="O" number="5"/>
+      </umod:brick>
+      <umod:brick title="HexNAc" full_name="N-Acetyl Hexosamine" mono_mass="203.079372605"
+                  avge_mass="203.19252">
+         <umod:element symbol="C" number="8"/>
+         <umod:element symbol="H" number="13"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="5"/>
+      </umod:brick>
+      <umod:brick title="Ac" full_name="Acetate" mono_mass="42.0105647" avge_mass="42.03668">
+         <umod:element symbol="C" number="2"/>
+         <umod:element symbol="H" number="2"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:brick>
+      <umod:brick title="dHex" full_name="Deoxy-hexose" mono_mass="146.05790887"
+                  avge_mass="146.1412">
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="H" number="10"/>
+         <umod:element symbol="O" number="4"/>
+      </umod:brick>
+      <umod:brick title="HexA" full_name="Hexosamine" mono_mass="176.03208806"
+                  avge_mass="176.12412">
+         <umod:element symbol="C" number="6"/>
+         <umod:element symbol="H" number="8"/>
+         <umod:element symbol="O" number="6"/>
+      </umod:brick>
+      <umod:brick title="Kdn" full_name="3-deoxy-d-glycero-D-galacto-nonulosonic acid"
+                  mono_mass="250.06886753"
+                  avge_mass="250.20265999999998">
+         <umod:element symbol="C" number="9"/>
+         <umod:element symbol="H" number="14"/>
+         <umod:element symbol="O" number="8"/>
+      </umod:brick>
+      <umod:brick title="Kdo" full_name="2-keto-3-deoxyoctulosonic acid" mono_mass="220.05830283"
+                  avge_mass="220.17668">
+         <umod:element symbol="C" number="8"/>
+         <umod:element symbol="H" number="12"/>
+         <umod:element symbol="O" number="7"/>
+      </umod:brick>
+      <umod:brick title="Me" full_name="Methyl" mono_mass="14.01565007" avge_mass="14.02658">
+         <umod:element symbol="C" number="1"/>
+         <umod:element symbol="H" number="2"/>
+      </umod:brick>
+      <umod:brick title="NeuAc" full_name="N-acetyl neuraminic acid" mono_mass="291.095416635"
+                  avge_mass="291.25458000000003">
+         <umod:element symbol="C" number="11"/>
+         <umod:element symbol="H" number="17"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="8"/>
+      </umod:brick>
+      <umod:brick title="NeuGc" full_name="N-glycoyl neuraminic acid"
+                  mono_mass="307.09033126500003"
+                  avge_mass="307.25398">
+         <umod:element symbol="C" number="11"/>
+         <umod:element symbol="H" number="17"/>
+         <umod:element symbol="N" number="1"/>
+         <umod:element symbol="O" number="9"/>
+      </umod:brick>
+      <umod:brick title="Water" full_name="Water" mono_mass="18.0105647" avge_mass="18.01528">
+         <umod:element symbol="H" number="2"/>
+         <umod:element symbol="O" number="1"/>
+      </umod:brick>
+      <umod:brick title="Phos" full_name="Phosphate" mono_mass="79.96633092500001"
+                  avge_mass="79.979901">
+         <umod:element symbol="H" number="1"/>
+         <umod:element symbol="P" number="1"/>
+         <umod:element symbol="O" number="3"/>
+      </umod:brick>
+      <umod:brick title="Sulf" full_name="Sulfate" mono_mass="79.95681459000001"
+                  avge_mass="80.0632">
+         <umod:element symbol="S" number="1"/>
+         <umod:element symbol="O" number="3"/>
+      </umod:brick>
+      <umod:brick title="Pent" full_name="Pentose" mono_mass="132.0422588" avge_mass="132.11462">
+         <umod:element symbol="C" number="5"/>
+         <umod:element symbol="H" number="8"/>
+         <umod:element symbol="O" number="4"/>
+      </umod:brick>
+      <umod:brick title="Li" full_name="Lithium" mono_mass="7.016003" avge_mass="6.941">
+         <umod:element symbol="Li" number="1"/>
+      </umod:brick>
+      <umod:brick title="13C" full_name="Carbon 13" mono_mass="13.00335483"
+                  avge_mass="13.00335483">
+         <umod:element symbol="13C" number="1"/>
+      </umod:brick>
+      <umod:brick title="15N" full_name="Nitrogen 15" mono_mass="15.00010897"
+                  avge_mass="15.00010897">
+         <umod:element symbol="15N" number="1"/>
+      </umod:brick>
+      <umod:brick title="Cl" full_name="Chlorine" mono_mass="34.96885272" avge_mass="35.453">
+         <umod:element symbol="Cl" number="1"/>
+      </umod:brick>
+      <umod:brick title="K" full_name="Potassium" mono_mass="38.9637074" avge_mass="39.0983">
+         <umod:element symbol="K" number="1"/>
+      </umod:brick>
+      <umod:brick title="Ca" full_name="Calcium" mono_mass="39.9625906" avge_mass="40.078">
+         <umod:element symbol="Ca" number="1"/>
+      </umod:brick>
+      <umod:brick title="Fe" full_name="Iron" mono_mass="55.9349393" avge_mass="55.845">
+         <umod:element symbol="Fe" number="1"/>
+      </umod:brick>
+      <umod:brick title="Ni" full_name="Nickel" mono_mass="57.9353462" avge_mass="58.6934">
+         <umod:element symbol="Ni" number="1"/>
+      </umod:brick>
+      <umod:brick title="Zn" full_name="Zinc" mono_mass="63.9291448" avge_mass="65.409">
+         <umod:element symbol="Zn" number="1"/>
+      </umod:brick>
+      <umod:brick title="Br" full_name="Bromine" mono_mass="78.9183361" avge_mass="79.904">
+         <umod:element symbol="Br" number="1"/>
+      </umod:brick>
+      <umod:brick title="Ag" full_name="Silver" mono_mass="106.905092" avge_mass="107.8682">
+         <umod:element symbol="Ag" number="1"/>
+      </umod:brick>
+      <umod:brick title="Hg" full_name="Mercury" mono_mass="201.970617" avge_mass="200.59">
+         <umod:element symbol="Hg" number="1"/>
+      </umod:brick>
+      <umod:brick title="Au" full_name="Gold" mono_mass="196.966543" avge_mass="196.96655">
+         <umod:element symbol="Au" number="1"/>
+      </umod:brick>
+      <umod:brick title="I" full_name="Iodine" mono_mass="126.904473" avge_mass="126.90447">
+         <umod:element symbol="I" number="1"/>
+      </umod:brick>
+      <umod:brick title="Mo" full_name="Molybdenum" mono_mass="97.9054073" avge_mass="95.94">
+         <umod:element symbol="Mo" number="1"/>
+      </umod:brick>
+      <umod:brick title="Cu" full_name="Copper" mono_mass="62.9295989" avge_mass="63.546">
+         <umod:element symbol="Cu" number="1"/>
+      </umod:brick>
+      <umod:brick title="Hep" full_name="Heptose" mono_mass="192.06338820000002"
+                  avge_mass="192.16658">
+         <umod:element symbol="C" number="7"/>
+         <umod:element symbol="H" number="12"/>
+         <umod:element symbol="O" number="6"/>
+      </umod:brick>
+      <umod:brick title="B" full_name="Boron" mono_mass="11.0093055" avge_mass="10.811">
+         <umod:element symbol="B" number="1"/>
+      </umod:brick>
+      <umod:brick title="As" full_name="Arsenic" mono_mass="74.9215942" avge_mass="74.9215942">
+         <umod:element symbol="As" number="1"/>
+      </umod:brick>
+      <umod:brick title="Cd" full_name="Cadmium" mono_mass="113.903357" avge_mass="112.411">
+         <umod:element symbol="Cd" number="1"/>
+      </umod:brick>
+      <umod:brick title="Cr" full_name="Chromium" mono_mass="51.9405098" avge_mass="51.9961">
+         <umod:element symbol="Cr" number="1"/>
+      </umod:brick>
+      <umod:brick title="Co" full_name="Cobalt" mono_mass="58.9331976" avge_mass="58.933195">
+         <umod:element symbol="Co" number="1"/>
+      </umod:brick>
+      <umod:brick title="Mn" full_name="Manganese" mono_mass="54.9380471" avge_mass="54.938045">
+         <umod:element symbol="Mn" number="1"/>
+      </umod:brick>
+      <umod:brick title="Mg" full_name="Magnesium" mono_mass="23.9850423" avge_mass="24.305">
+         <umod:element symbol="Mg" number="1"/>
+      </umod:brick>
+      <umod:brick title="Pd" full_name="Palladium" mono_mass="105.903478" avge_mass="106.42">
+         <umod:element symbol="Pd" number="1"/>
+      </umod:brick>
+   </umod:mod_bricks>
+</umod:unimod>
diff --git a/pyqms/results.py b/pyqms/results.py
index 84c7198..ed9af7c 100644
--- a/pyqms/results.py
+++ b/pyqms/results.py
@@ -306,7 +306,9 @@ def extract_results(
                     continue
                 yield key, i, entry
 
-    def format_all_results(self,):
+    def format_all_results(
+        self,
+    ):
         """
         Format all results to a pandas DataFrame.
 
@@ -484,9 +486,7 @@ def _determine_measured_error(
 
                     error_dict["mz_error"].append(rel_mz_error_in_ppm)
                     error_dict["intensity_error"].append(rel_i_error)
-                    error_dict["time_dependent_mz_error"][rt].append(
-                        rel_mz_error_in_ppm
-                    )
+                    error_dict["time_dependent_mz_error"][rt].append(rel_mz_error_in_ppm)
                     error_dict["time_dependent_intensity_error"][rt].append(rel_i_error)
         if plot and len(error_dict["mz_error"]) > 0:
             assert self._import_rpy2() == True, "require R & rpy2 installed..."
@@ -630,7 +630,7 @@ def _format_molecule_for_r(self, key):
 
     def plot_MIC_3D(self, key, file_name=None, rt_window=None, i_transform=None):
         """
-            Plot MIC from results using rpy2 in 3D.
+        Plot MIC from results using rpy2 in 3D.
 
 
 
@@ -953,23 +953,23 @@ def plot_MICs_2D(
 
     def _add_ablines_into_r_plot(self, graphics, ablines):
         """
-            ablines representing a list with dicts passed to the abline
-            function of rpy2
-
-            Example:
-                ablines = [
-                    {
-                        'v' : 1
-                    }
-                ]
+        ablines representing a list with dicts passed to the abline
+        function of rpy2
 
-            The example above will plot a vertical line at x=1
-
-            Please note that the default entries are:
+        Example:
+            ablines = [
                 {
-                    'col' : 'black',
-                    'lty' : 'solid'
+                    'v' : 1
                 }
+            ]
+
+        The example above will plot a vertical line at x=1
+
+        Please note that the default entries are:
+            {
+                'col' : 'black',
+                'lty' : 'solid'
+            }
 
         """
         defaultValues = {"col": "black", "lty": "solid"}
@@ -982,13 +982,13 @@ def _add_ablines_into_r_plot(self, graphics, ablines):
 
     def _add_additional_legend_into_r_plot(self, graphics, additional_legends):
         """
-            Minimal a position with x and y is required as well as the label
+        Minimal a position with x and y is required as well as the label
 
-            paramDict = {
-                'x' :  0,
-                'y' ;  0,
-                'legend': 'origin'
-            }
+        paramDict = {
+            'x' :  0,
+            'y' ;  0,
+            'legend': 'origin'
+        }
 
         """
 
@@ -1238,7 +1238,14 @@ def calc_amounts_from_rt_info_file(
                 obj_for_calc_amount = {"rt": [], "i": [], "scores": [], "spec_ids": []}
                 # calculate the lists and pass to the calc amoutn fucntion...
                 for entry in self[m_key]["data"]:
-                    rt = entry.rt
+                    try:
+                        if entry.rt[1] == "second":
+                            rt = entry.rt[0] / 60
+                        elif entry.rt[1] == "minute":
+                            rt = entry.rt[0]
+                    except TypeError:
+                        rt = entry.rt
+
                     if rt < line_dict["start (min)"]:  # i.e. start of rt window
                         continue
                     elif rt > line_dict["stop (min)"]:  # i.e. end of rt window
@@ -1366,7 +1373,10 @@ def write_rt_info_file(
         else:
             csv_kwargs["lineterminator"] = "\r\n"
 
-        full_rt_border_lookup, full_molecule_lookup = self._determine_rt_windows_from_evidence(
+        (
+            full_rt_border_lookup,
+            full_molecule_lookup,
+        ) = self._determine_rt_windows_from_evidence(
             rt_border_tolerance=rt_border_tolerance
         )
         lines_2_write = []
@@ -1459,9 +1469,7 @@ def write_rt_info_file(
                             tmp["trivial_name(s)"] = ";".join(
                                 sorted(
                                     list(
-                                        set(
-                                            tmp_evidence_dict[molecule]["trivial_names"]
-                                        )
+                                        set(tmp_evidence_dict[molecule]["trivial_names"])
                                     )
                                 )
                             )
@@ -1516,29 +1524,29 @@ def write_rt_info_file(
 
     def write_result_csv(self, output_file_name=None):
         """
-            Write raw results into a .csv file
+        Write raw results into a .csv file
 
-            Args:
-                output_file_name (str): output file name of the csv containing
-                    containing all raw results, should be a complete path
+        Args:
+            output_file_name (str): output file name of the csv containing
+                containing all raw results, should be a complete path
 
-            Warning:
+        Warning:
 
-                Depending on data size the resulting csv can become very large.
-                Some csv viewer can not handle files with a large number of
-                lines.
+            Depending on data size the resulting csv can become very large.
+            Some csv viewer can not handle files with a large number of
+            lines.
 
-            Keys in csv:
+        Keys in csv:
 
-                * Formula           : molecular formula of the molecule (str)
-                * Molecule          : molecule or trivial name (str)
-                * Charge            : charge of the molecule (int)
-                * ScanID            : ScanID of the quantified spectrum (int)
-                * Label Percentiles : Labeling percentile ( (element, enrichment in %), )
-                * Amount            : the determined amount of the molecule
-                * Retention Time    : retetention time of the ScanID
-                * mScore            : score of the isotopologue match
-                * Filename          : filename of spectrum input files
+            * Formula           : molecular formula of the molecule (str)
+            * Molecule          : molecule or trivial name (str)
+            * Charge            : charge of the molecule (int)
+            * ScanID            : ScanID of the quantified spectrum (int)
+            * Label Percentiles : Labeling percentile ( (element, enrichment in %), )
+            * Amount            : the determined amount of the molecule
+            * Retention Time    : retetention time of the ScanID
+            * mScore            : score of the isotopologue match
+            * Filename          : filename of spectrum input files
 
         """
         raw_amounts_fieldnames = [
@@ -1873,7 +1881,7 @@ def write_result_mztab(self, output_file_name=None, rt_border_tolerance=None):
 
     def _smooth_list(self, input_list, k=5):
         """
-            Smooth list with sliding window of k points
+        Smooth list with sliding window of k points
         """
         k = k
         fill_value = 0
@@ -1960,9 +1968,7 @@ def window_curator(self, window_sort_list, rt_tolerance=None, win_key=None):
         for pos, current_window_object in enumerate(window_sort_list):
             # print(pos, current_window_object)
             # set windows for everz peptide!
-            upep_2_rt[current_window_object[1]] = {
-                "rt_window": current_window_object[0]
-            }
+            upep_2_rt[current_window_object[1]] = {"rt_window": current_window_object[0]}
             if pos == 0:
                 continue
             last_window_object = window_sort_list[pos - 1]
@@ -2025,10 +2031,7 @@ def window_curator(self, window_sort_list, rt_tolerance=None, win_key=None):
                         pass
 
                     if unseparable is True:
-                        if (
-                            "window_is_unseparable"
-                            not in upep_2_rt[current_upep].keys()
-                        ):
+                        if "window_is_unseparable" not in upep_2_rt[current_upep].keys():
                             upep_2_rt[current_upep]["window_is_unseparable"] = []
                         if "window_is_unseparable" not in upep_2_rt[last_upep].keys():
                             upep_2_rt[last_upep]["window_is_unseparable"] = []
@@ -2045,9 +2048,7 @@ def window_curator(self, window_sort_list, rt_tolerance=None, win_key=None):
                             "lower_window_border"
                         ] = half_diff_redef_win
 
-                        upep_2_rt[last_upep][
-                            "upper_window_border"
-                        ] = half_diff_redef_win
+                        upep_2_rt[last_upep]["upper_window_border"] = half_diff_redef_win
 
         return upep_2_rt
 
diff --git a/pyqms/unimod_mapper.py b/pyqms/unimod_mapper.py
deleted file mode 100644
index 647993d..0000000
--- a/pyqms/unimod_mapper.py
+++ /dev/null
@@ -1,476 +0,0 @@
-#!/usr/bin/env python
-# encoding: utf-8
-"""
-    pyQms
-    -----
-
-    Python module for fast and accurate mass spectrometry data quantification
-
-    :license: MIT, see LICENSE.txt for more details
-
-    Authors:
-
-        * Leufken, J.
-        * Niehues, A.
-        * Sarin, L.P.
-        * Hippler, M.
-        * Leidel, S.A.
-        * Fufezan, C.
-
-"""
-from __future__ import absolute_import
-import sys
-import os
-import codecs
-import xml.etree.ElementTree as ET
-
-
-class UnimodMapper(object):
-    """
-    UnimodMapper class that creates lookup to the unimod.xml located in
-    kb/ext/unimod.xml and offers several helper methods.
-
-    Mapping from e.g. name to composition or unimod ID to mass is possible.
-    
-    Please refer to `unimod`_ for further informations on modifications
-    including naming, formulas, masses etc.
-
-    .. _unimod:
-        http://www.unimod.org/modifications_list.php?
-    
-    """
-
-    def __init__(self):
-        self._data_list = None
-        self._mapper = None
-
-        self.unimod_xml_name = "unimod.xml"
-        # self.data_list = self._parseXML()
-        # self.mapper    = self._initialize_mapper()
-
-    @property
-    def data_list(self):
-        if self._data_list is None:
-            self._data_list = self._parseXML()
-        return self._data_list
-
-    @data_list.setter
-    def data_list(self, data_list):
-        self._data_list = data_list
-        return
-
-    @property
-    def mapper(self):
-        if self._mapper is None:
-            self._mapper = self._initialize_mapper()
-        return self._mapper
-
-    @mapper.setter
-    def mapper(self, mapper):
-        self._mapper = mapper
-        return
-
-    def _parseXML(self):
-        is_frozen = getattr(sys, "frozen", False)
-        if is_frozen:
-            xmlFile = os.path.normpath(
-                os.path.join(os.path.dirname(sys.executable), self.unimod_xml_name)
-            )
-        else:
-            xmlFile = os.path.normpath(
-                os.path.join(
-                    os.path.dirname(__file__), "kb", "ext", self.unimod_xml_name
-                )
-            )
-        data_list = []
-        print("> Parsing unimod.xml from {0}".format(xmlFile))
-        if os.path.exists(xmlFile):
-            unimodXML = ET.iterparse(
-                codecs.open(xmlFile, "r", encoding="utf8"), events=(b"start", b"end")
-            )
-            collect_element = False
-            for event, element in unimodXML:
-                if event == b"start":
-                    if element.tag.endswith("}mod"):
-                        tmp = {
-                            "unimodID": element.attrib["record_id"],
-                            "unimodname": element.attrib["title"],
-                            "element": {},
-                            "specificity_sites": [],
-                        }
-                    elif element.tag.endswith("}delta"):
-                        collect_element = True
-                        tmp["mono_mass"] = float(element.attrib["mono_mass"])
-                    elif element.tag.endswith("}element"):
-                        if collect_element is True:
-                            number = int(element.attrib["number"])
-                            if number != 0:
-                                tmp["element"][element.attrib["symbol"]] = number
-                    elif element.tag.endswith("}specificity"):
-                        amino_acid = element.attrib["site"]
-                        if element.attrib["classification"] != "Artefact":
-                            tmp["specificity_sites"].append(amino_acid)
-                    else:
-                        pass
-                else:
-                    # end element
-                    if element.tag.endswith("}delta"):
-                        collect_element = False
-                    elif element.tag.endswith("}mod"):
-                        data_list.append(tmp)
-                    else:
-                        pass
-
-        else:
-            print("No unimod.xml file found. Expected at {0}".format(xmlFile))
-            sys.exit(1)
-        return data_list
-
-    def _initialize_mapper(self):
-        """
-        Set up the mapper, generates the index dict
-        """
-        mapper = {}
-        for index, unimod_data_dict in enumerate(self.data_list):
-            for key, value in unimod_data_dict.items():
-                if key == "element":
-                    MAJORS = ["C", "H"]
-                    hill_notation = ""
-                    for major in MAJORS:
-                        if major in unimod_data_dict[key].keys():
-                            hill_notation += "{0}({1})".format(
-                                major, unimod_data_dict[key][major]
-                            )
-                    for symbol, number in sorted(unimod_data_dict[key].items()):
-                        if symbol in MAJORS:
-                            continue
-                        hill_notation += "{0}({1})".format(symbol, number)
-
-                    if hill_notation not in mapper.keys():
-                        mapper[hill_notation] = []
-                    mapper[hill_notation].append(index)
-                elif key == "mono_mass":
-                    if value not in mapper.keys():
-                        mapper[value] = []
-                    mapper[value].append(index)
-                elif key == "specificity_sites":
-                    pass
-                else:
-                    if value not in mapper.keys():
-                        mapper[value] = index
-        return mapper
-
-    # name 2 ....
-    def name2mass(self, unimod_name):
-        """
-        Converts unimod name to unimod mono isotopic mass
-
-        Args:
-            unimod_name (str): name of modification (as named in unimod)
-
-        Returns:
-            float: Unimod mono isotopic mass
-        """
-        return self._map_key_2_index_2_value(unimod_name, "mono_mass")
-
-    def name2composition(self, unimod_name):
-        """
-        Converts unimod name to unimod composition
-
-        Args:
-            unimod_name (str): name of modification (as named in unimod)
-
-        Returns:
-            dict: Unimod elemental composition
-        """
-        return self._map_key_2_index_2_value(unimod_name, "element")
-
-    def name2id(self, unimod_name):
-        """
-        Converts unimod name to unimod ID
-
-        Args:
-            unimod_name (str): name of modification (as named in unimod)
-
-        Returns:
-            int: Unimod ID
-        """
-        return self._map_key_2_index_2_value(unimod_name, "unimodID")
-
-    def name2specificity_site_list(self, unimod_name):
-        """
-        Converts unimod name to list of specified amino acids or sites
-
-        Args:
-            unimod_name (str): name of modification (as named in unimod)
-
-        Returns:
-            list: list of specificity sites
-        """
-        list_2_return = None
-        index = self.mapper.get(unimod_name, None)
-        if index is not None:
-            list_2_return = self._data_list_2_value(index, "specificity_sites")
-        return list_2_return
-
-    # unimodid 2 ....
-    def id2mass(self, unimod_id):
-        """
-        Converts unimod ID to unimod mass
-
-        Args:
-            unimod_id (int): identifier of modification
-
-        Returns:
-            float: Unimod mono isotopic mass
-        """
-        return self._map_key_2_index_2_value(unimod_id, "mono_mass")
-
-    def id2composition(self, unimod_id):
-        """
-        Converts unimod ID to unimod composition
-
-        Args:
-            unimod_id (int): identifier of modification
-
-        Returns:
-            dict: Unimod elemental composition
-        """
-        return self._map_key_2_index_2_value(unimod_id, "element")
-
-    def id2name(self, unimod_id):
-        """
-        Converts unimod ID to unimod name
-
-        Args:
-            unimod_id (int): identifier of modification
-
-        Returns:
-            str: Unimod name
-        """
-        return self._map_key_2_index_2_value(unimod_id, "unimodname")
-
-    # mass is ambigous therefore a list is returned
-    def mass2name_list(self, mass):
-        """
-        Converts unimod mass to unimod name list,
-        since a given mass can map to mutiple entries in the XML.
-
-        Args:
-            mass (float): mass of modification
-
-        Returns:
-            list: Unimod names
-        """
-        list_2_return = []
-        for index in self.mapper[mass]:
-            list_2_return.append(self._data_list_2_value(index, "unimodname"))
-        return list_2_return
-
-    def mass2id_list(self, mass):
-        """
-        Converts unimod mass to unimod name list,
-        since a given mass can map to mutiple entries in the XML.
-
-        Args:
-            mass (float): mass of modification
-
-        Returns:
-            list: Unimod IDs
-        """
-        list_2_return = []
-        index_list = self.mapper.get(mass, None)
-        if index_list is not None:
-            for index in index_list:
-                list_2_return.append(self._data_list_2_value(index, "unimodID"))
-        return list_2_return
-
-    def mass2composition_list(self, mass):
-        """
-        Converts unimod mass to unimod element composition list,
-        since a given mass can map to mutiple entries in the XML.
-
-        Args:
-            mass (float): mass of modification
-
-        Returns:
-            list: Unimod elemental compositions
-        """
-
-        list_2_return = []
-        for index in self.mapper[mass]:
-            list_2_return.append(self._data_list_2_value(index, "element"))
-        return list_2_return
-
-    def appMass2id_list(self, mass, decimal_places=2):
-        """
-        Creates a list of unimod IDs for a given approximate mass
-
-        Args:
-            mass (float): approximate mass of modification
-
-        Keyword Arguments:
-            decimal_places (int): Precision with which the masses in the
-                Unimod is compared to the input, i.e. round( mass, decimal_places )
-
-        Returns:
-            list: Unimod IDs
-
-        Examples::
-
-            >>> import pyqms
-            >>> U = pyqms.UnimodMapper()
-            >>> U.appMass2id_list(18, decimal_places=0)
-                ['127', '329', '608', '1079', '1167']
-
-        """
-        return_list = self._appMass2whatever(
-            mass, decimal_places=decimal_places, entry_key="unimodID"
-        )
-        return return_list
-
-    def appMass2element_list(self, mass, decimal_places=2):
-        """
-        Creates a list of element composition dicts for a given approximate mass
-
-        Args:
-            mass (float): approximate mass of modification
-
-        Keyword Arguments:
-            decimal_places (int): Precision with which the masses in the
-                Unimod is compared to the input, i.e. round( mass, decimal_places )
-
-        Returns:
-            list: Dicts of elements
-
-        Examples::
-
-            >>> import pyqms
-            >>> U = pyqms.UnimodMapper()
-            >>> U.appMass2element_list(18, decimal_places=0)
-                [{'F': 1, 'H': -1}, {'13C': 1, 'H': -1, '2H': 3},
-                {'H': -2, 'C': -1, 'S': 1}, {'H': 2, 'C': 4, 'O': -2},
-                {'H': -2, 'C': -1, 'O': 2}]
-
-
-        """
-        return_list = self._appMass2whatever(
-            mass, decimal_places=decimal_places, entry_key="element"
-        )
-        return return_list
-
-    def appMass2name_list(self, mass, decimal_places=2):
-        """
-        Creates a list of unimod names for a given approximate mass
-
-        Args:
-            mass (float): approximate mass of modification
-
-        Keyword Arguments:
-            decimal_places (int): Precision with which the masses in the
-                Unimod is compared to the input, i.e. round( mass, decimal_places )
-
-        Returns:
-            list: Unimod names
-
-        Examples::
-
-            >>> import pyqms
-            >>> U = pyqms.UnimodMapper()
-            >>> U.appMass2name_list(18, decimal_places=0)
-                ['Fluoro', 'Methyl:2H(3)13C(1)', 'Xle->Met', 'Glu->Phe', 'Pro->Asp']
-
-        """
-        return_list = self._appMass2whatever(
-            mass, decimal_places=decimal_places, entry_key="unimodname"
-        )
-        return return_list
-
-    def composition2name_list(self, composition):
-        """
-        Converts unimod composition to unimod name list,
-        since a given composition can map to mutiple entries in the XML.
-
-        Args:
-            composition (dict): element composition (element, count pairs)
-
-        Returns:
-            list: Unimod names
-        """
-        list_2_return = []
-        index_list = self.mapper.get(composition, None)
-        if index_list is not None:
-            for index in index_list:
-                list_2_return.append(self._data_list_2_value(index, "unimodname"))
-        return list_2_return
-
-    def composition2id_list(self, composition):
-        """
-        Converts unimod composition to unimod name list,
-        since a given composition can map to mutiple entries in the XML.
-
-        Args:
-            composition (dict): element composition (element, count pairs)
-
-        Returns:
-            list: Unimod IDs
-        """
-        list_2_return = []
-        index_list = self.mapper.get(composition, None)
-        if index_list is not None:
-            for index in index_list:
-                list_2_return.append(self._data_list_2_value(index, "unimodID"))
-        return list_2_return
-
-    def composition2mass(self, composition):
-        """
-        Converts unimod composition to unimod monoisotopic mass.
-
-        Args:
-            composition (dict): element composition (element, count pairs)
-
-        Returns:
-            float: monoisotopic mass
-        """
-        mass_2_return = None
-        list_2_return = []
-        index_list = self.mapper.get(composition, None)
-        if index_list != None:
-            for index in index_list:
-                list_2_return.append(self._data_list_2_value(index, "mono_mass"))
-            assert (
-                len(set(list_2_return)) == 1
-            ), """
-            Unimod chemical composition {0}
-            maps on different monoisotopic masses. This should not happen.
-            """.format(
-                composition
-            )
-            mass_2_return = list_2_return[0]
-        return mass_2_return
-
-    def _appMass2whatever(self, mass, decimal_places=2, entry_key=None):
-        return_list = []
-        for entry in self.data_list:
-            umass = entry["mono_mass"]
-            rounded_umass = round(float(umass), decimal_places)
-            if abs(rounded_umass - mass) <= sys.float_info.epsilon:
-                return_list.append(entry[entry_key])
-        return return_list
-
-    def _map_key_2_index_2_value(self, map_key, return_key):
-        index = self.mapper.get(map_key, None)
-        if index is None:
-            print("Cant map", map_key, file=sys.stderr)
-            return_value = None
-        else:
-            return_value = self._data_list_2_value(index, return_key)
-        return return_value
-
-    def _data_list_2_value(self, index, return_key):
-        return self.data_list[index][return_key]
-
-
-if __name__ == "__main__":
-    print(__doc__)
-    print(UnimodMapper.__doc__)
diff --git a/requirements.txt b/requirements.txt
index 10abcd7..98b5a96 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -4,4 +4,5 @@ nose
 tox
 coverage
 codecov
-pandas
\ No newline at end of file
+pandas
+chemical_composition
diff --git a/setup.py b/setup.py
index 6170568..c8cb63d 100644
--- a/setup.py
+++ b/setup.py
@@ -3,52 +3,48 @@
 from setuptools import setup
 import os
 
-version_txt_path = os.path.join(
-    os.path.dirname(__file__),
-    'pyqms',
-    'version.txt'
-)
-with open(version_txt_path, 'r') as version_file:
+version_txt_path = os.path.join(os.path.dirname(__file__), "pyqms", "version.txt")
+with open(version_txt_path, "r") as version_file:
     pyqms_version = version_file.readline().strip()
 
 setup(
-    name             = 'pyqms',
-    version          = pyqms_version,
-    packages         = [ 'pyqms' ],
-    package_dir      = { 'pyqms' : 'pyqms' },
-    description      = 'pyQms - Python module for accurate quantification of mass spectrometry data',
-    package_data     = {
-        'pyqms' : [
-            'version.txt',
-            'kb/ext/unimod.xml',
+    name="pyqms",
+    version=pyqms_version,
+    packages=["pyqms"],
+    package_dir={"pyqms": "pyqms"},
+    description="pyQms - Python module for accurate quantification of mass spectrometry data",
+    package_data={
+        "pyqms": [
+            "version.txt",
+            "kb/ext/unimod.xml",
         ]
     },
-    install_requires         = ['pymzml', 'openpyxl'],
-    long_description = "pyQms enables universal and accurate quantification of mass spectrometry data",
-    author           = 'Johannes Leufken, Anna Niehues, L. Peter Sarin, Florian Wessels, Michael Hippler, Sebastian A. Leidel and Christian Fufezan',
-    author_email     = 'christian@fufezan.net',
-    url              = 'https://github.com/pyQms/pyqms',
-    license          = 'The MIT License (MIT)',
-    platforms        = 'any that supports python 3.4',
-    classifiers      = [
-        'Development Status :: 4 - Beta',
-        'Environment :: Console',
-        'Intended Audience :: Education',
-        'Intended Audience :: Science/Research',
-        'Intended Audience :: Developers',
-        'Operating System :: MacOS :: MacOS X',
-        'Operating System :: Microsoft :: Windows',
-        'Operating System :: POSIX',
-        'Operating System :: POSIX :: SunOS/Solaris',
-        'Operating System :: Unix',
-        'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.5',
-        'Topic :: Scientific/Engineering :: Astronomy',
-        'Topic :: Scientific/Engineering :: Atmospheric Science',
-        'Topic :: Scientific/Engineering :: Bio-Informatics',
-        'Topic :: Scientific/Engineering :: Chemistry',
-        'Topic :: Scientific/Engineering :: Information Analysis',
-        'Topic :: Scientific/Engineering :: Medical Science Apps.',
-        'Topic :: Scientific/Engineering :: Physics',
+    install_requires=["pymzml", "openpyxl", "chemical_composition"],
+    long_description="pyQms enables universal and accurate quantification of mass spectrometry data",
+    author="Johannes Leufken, Anna Niehues, L. Peter Sarin, Florian Wessels, Michael Hippler, Sebastian A. Leidel and Christian Fufezan",
+    author_email="christian@fufezan.net",
+    url="https://github.com/pyQms/pyqms",
+    license="The MIT License (MIT)",
+    platforms="any that supports python 3.4",
+    classifiers=[
+        "Development Status :: 4 - Beta",
+        "Environment :: Console",
+        "Intended Audience :: Education",
+        "Intended Audience :: Science/Research",
+        "Intended Audience :: Developers",
+        "Operating System :: MacOS :: MacOS X",
+        "Operating System :: Microsoft :: Windows",
+        "Operating System :: POSIX",
+        "Operating System :: POSIX :: SunOS/Solaris",
+        "Operating System :: Unix",
+        "Programming Language :: Python :: 3",
+        "Programming Language :: Python :: 3.5",
+        "Topic :: Scientific/Engineering :: Astronomy",
+        "Topic :: Scientific/Engineering :: Atmospheric Science",
+        "Topic :: Scientific/Engineering :: Bio-Informatics",
+        "Topic :: Scientific/Engineering :: Chemistry",
+        "Topic :: Scientific/Engineering :: Information Analysis",
+        "Topic :: Scientific/Engineering :: Medical Science Apps.",
+        "Topic :: Scientific/Engineering :: Physics",
     ],
 )


Test patch:
diff --git a/tests/ChemicalComposition_tests.py b/tests/ChemicalComposition_tests.py
deleted file mode 100644
index 248c473..0000000
--- a/tests/ChemicalComposition_tests.py
+++ /dev/null
@@ -1,172 +0,0 @@
-#!/usr/bin/env python
-# encoding: utf-8
-import pyqms
-import unittest
-
-
-class TestChemicalComposition(unittest.TestCase):
-    def setUp(self):
-        self.lib = pyqms.ChemicalComposition()
-        self.water1 = pyqms.ChemicalComposition("+H2O")
-        self.water_unimod_style_chemical_formula = pyqms.ChemicalComposition(
-            "+H(2)16O(1)"
-        )
-
-    def tearDown(self):
-        pass
-
-    def generate_cc_using_uni_mod_teminology_test(self):
-        cc_returned = self.water_unimod_style_chemical_formula.generate_cc_dict()
-        assert len(cc_returned.keys()) == 2
-        self.assertEqual(cc_returned["16O"], 1)
-        self.assertEqual(cc_returned["H"], 2)
-        return
-
-    def test_add_chemical_formulas(self):
-        water1 = pyqms.ChemicalComposition("+H2O")
-        water2 = pyqms.ChemicalComposition("+H2O")
-        two_waters = water1 + water2
-        self.assertEqual(two_waters.hill_notation(), "H4O2")
-
-    def test_representation_is_hill_notatation(self):
-        self.assertEqual(str(self.water1), "H2O")
-
-    def test_clear_removes_everything(self):
-        cc = pyqms.ChemicalComposition("KLEINERTEST")
-        cc.clear()
-        self.assertEqual(str(cc), "")
-
-    def test__mass_even_though_you_should_not_use_it(self):
-
-        cc = pyqms.ChemicalComposition("+H2O")
-        self.assertAlmostEqual(cc._mass(), 18.0105646844)
-
-
-    def test__mass_with_cc_even_though_you_should_not_use_it(self):
-        cc = pyqms.ChemicalComposition("+H2O")
-        self.assertAlmostEqual(cc._mass(cc=cc), 18.0105646844)
-
-    def test__mass_with_heavy_isotopes_TMT6Plex_example(self):
-        cc = pyqms.ChemicalComposition('#TMT6plex:0')
-        self.assertAlmostEqual(cc._mass(cc=cc) , 229.162932, 6)
-
-    def fail_test(self):
-        cc = pyqms.ChemicalComposition()
-        failing_sequence_list = ["#Oxidation_w/o_pos", "#Oxidation_with_pos:1"]
-        for failing_sequence in failing_sequence_list:
-            with self.assertRaises(SystemExit) as system_exit_check:
-                cc._parse_sequence_unimod_style(failing_sequence)
-
-            self.assertEqual(system_exit_check.exception.code, 1)
-        cc.clear()
-        cc._parse_sequence_unimod_style("#;")
-        assert len(cc.keys()) == 0
-
-        return
-
-    def generate_cc_test(self):
-        cc = pyqms.ChemicalComposition("+H2O")
-        cc_returned = cc.generate_cc_dict()
-        assert len(cc_returned.keys()) == 2
-        return
-
-
-TESTS = [
-    {
-        "input": "A#Oxidation:1",
-        "output": "C(3)H(7)N(1)O(3)",
-        "mod_pos_info": [{"pos": 1, "cc_mods": {"O": 1}}],
-    },
-    {
-        "input": "A#Oxidation:1;Acetyl:0",
-        # zero should end up at pos 1 ...
-        "output": "C(5)H(9)N(1)O(4)",
-        "mod_pos_info": [{"pos": 1, "cc_mods": {"O": 2, "C": 2, "H": 2}}],
-    },
-    {
-        "input": "X",
-        "aa_compositions": {"X": "C12"},
-        "output": "C(12)H(2)O(1)",
-        "mod_pos_info": [{"pos": 1, "cc_mods": None}],
-    },
-    {
-        "input": "RAA",
-        # 'aa_compositions' :  {'X': 'C12', 'R0': 'C12'},
-        "output": "C(12)H(24)N(6)O(4)",
-    },
-    {
-        "input": "R0X",
-        "aa_compositions": {"X": "C12", "R0": "C12"},
-        "output": "C(24)H(2)O(1)",
-        # 'mod_pos_info' : (0, [{'C': 12 }], 1, {'O' : 1, 'C' : 2, 'H' : 2}])
-    },
-    {"input": "R#Label:13C(6)15N(2):1", "output": "H(14)13C(6)15N(2)N(2)O(2)"},
-    {
-        "input": "R0XR1",
-        "aa_compositions": {"R0": "C12", "X": "C13", "R1": "C14"},
-        "output": "C(39)H(2)O(1)",
-        "aa_pos_info": [
-            {"pos": 1, "cc_mods": {"C": 12}},
-            {"pos": 3, "cc_mods": {"C": 14}},
-        ],
-    },
-    {
-        "input": "RR#Label:13C(6)15N(2):1",
-        "output": "C(6)H(26)13C(6)15N(2)N(6)O(3)",
-        "aa_pos_info": [
-            {"pos": 1, "cc_mods": {"C": 6, "O": 1, "N": 4, "H": 12}},
-            {"pos": 2, "cc_mods": {"C": 6, "O": 1, "N": 4, "H": 12}},
-        ],
-        "mod_pos_info": [{"pos": 1, "cc_mods": {"C": -6, "13C": 6, "N": -2, "15N": 2}}],
-    },
-    {"input": "+H2O2H2", "output": "H(4)O(2)"},
-    {"input": "+H2O2H2-HO", "output": "H(3)O(1)"},
-]
-
-
-SUBTRACTION_TEST_SET = [
-    # functionality tested yet ...
-    {"in": "+H2O2H2", "sub": "H2", "out": {"H": 2, "O": 2}}
-]
-
-
-def pepitde_with_unimod_test():
-    for test_id, test_dict in enumerate(TESTS):
-        yield check_unimod_pep_input, test_dict
-
-
-def check_unimod_pep_input(test_dict):
-    if "aa_compositions" not in test_dict.keys():
-        test_dict["aa_compositions"] = pyqms.knowledge_base.aa_compositions
-    cc = pyqms.ChemicalComposition(
-        test_dict["input"], aa_compositions=test_dict["aa_compositions"]
-    )
-    print("hill:", cc.hill_notation_unimod())
-    print(cc.composition_of_aa_at_pos)
-    print(cc.composition_of_mod_at_pos)
-    assert cc.hill_notation_unimod() == test_dict["output"]
-    if "mod_pos_info" in test_dict.keys():
-        for mod_dict in test_dict["mod_pos_info"]:
-            cc_mods = cc.composition_of_mod_at_pos.get(mod_dict["pos"], None)
-            assert cc_mods == mod_dict["cc_mods"]
-    if "aa_pos_info" in test_dict.keys():
-        for aa_dict in test_dict["aa_pos_info"]:
-            cc_aa = cc.composition_of_aa_at_pos.get(aa_dict["pos"], None)
-            assert cc_aa == aa_dict["cc_mods"]
-
-
-def Simple_amino_acid_test():
-    for aa, chemformula in pyqms.knowledge_base.aa_compositions.items():
-        yield check_hill_notation, aa, chemformula
-
-
-def check_hill_notation(aa, chemformula):
-    cc = pyqms.ChemicalComposition(aa)
-    cc.subtract_chemical_formula("H2O")
-    print(aa, chemformula)
-    print(cc)
-    assert cc.hill_notation() == chemformula
-
-
-if __name__ == "__main__":
-    Simple_amino_acid_test()
diff --git a/tests/Results_test.py b/tests/Results_test.py
index d9da894..75eabc3 100644
--- a/tests/Results_test.py
+++ b/tests/Results_test.py
@@ -222,8 +222,7 @@ def extract_format_results_test(self):
                 assert (result["charge"] == out_data["charge"]).all()
 
     def translate_test(self):
-        """
-        """
+        """ """
         assert self.results._translate_molecules_to_formulas(["DDSPDLPK"], None) == set(
             ["C(37)H(59)N(9)O(16)"]
         )
@@ -353,9 +352,7 @@ def intensity_transformation_test(self):
         assert i_transform_function(10) == 10
 
         # log 2 transform, check
-        i_label, i_transform_function = self.results._define_i_transformation(
-            tag="log2"
-        )
+        i_label, i_transform_function = self.results._define_i_transformation(tag="log2")
         assert i_label == "log2 Intensity [a.u.]"
         assert i_transform_function(10) == math.log(1 + 10, 2)
 
diff --git a/tests/UnimodMapper_test.py b/tests/UnimodMapper_test.py
deleted file mode 100644
index 3e4c06a..0000000
--- a/tests/UnimodMapper_test.py
+++ /dev/null
@@ -1,130 +0,0 @@
-#!/usr/bin/env python
-# encoding: utf-8
-
-import pyqms
-import unittest
-
-M = pyqms.UnimodMapper()
-
-UNIMODMAPPER_FUNCTIONS = [
-    M.name2mass,
-    M.name2composition,
-    M.name2id,
-    M.id2mass,
-    M.id2composition,
-    M.id2name,
-    M.mass2name_list,
-    M.mass2id_list,
-    M.mass2composition_list,
-    M.appMass2id_list,
-    M.appMass2element_list,
-    M.appMass2name_list,
-    M.composition2name_list,
-    M.name2specificity_site_list,
-    M.composition2id_list,
-    M.composition2mass,
-    M._map_key_2_index_2_value,
-]
-
-TESTS = [
-    [
-        {
-            "in": {"args": ["ICAT-G:2H(8)"]},
-            "out": 494.30142,
-        },  # First test : pyqms.UnimodMapper.name2mass,
-        {
-            "in": {"args": ["ICAT-G:2H(8)"]},
-            "out": {"H": 30, "C": 22, "O": 6, "S": 1, "2H": 8, "N": 4},
-        },  # pyqms.UnimodMapper.name2composition,
-        {"in": {"args": ["ICAT-G:2H(8)"]}, "out": "9"},  # pyqms.UnimodMapper.name2id,
-        {"in": {"args": ["9"]}, "out": 494.30142},  # pyqms.UnimodMapper.id2mass,
-        {
-            "in": {"args": ["9"]},
-            "out": {"N": 4, "S": 1, "2H": 8, "O": 6, "C": 22, "H": 30},
-        },  # pyqms.UnimodMapper.id2composition,
-        {"in": {"args": "9"}, "out": "ICAT-G:2H(8)"},  # pyqms.UnimodMapper.id2name,
-        {
-            "in": {"args": [494.30142]},
-            "out": ["ICAT-G:2H(8)"],
-        },  # pyqms.UnimodMapper.mass2name_list,
-        {"in": {"args": [494.30142]}, "out": ["9"]},  # pyqms.UnimodMapper.mass2id_list,
-        {
-            "in": {"args": [494.30142]},
-            "out": [{"N": 4, "S": 1, "2H": 8, "O": 6, "C": 22, "H": 30}],
-        },  # pyqms.UnimodMapper.mass2composition_list,
-        {
-            "in": {"args": [18], "kwargs": {"decimal_places": 0}},
-            "out": ["127", "329", "608", "1079", "1167"],
-        },  # pyqms.UnimodMapper.appMass2id_list
-        {
-            "in": {"args": [18], "kwargs": {"decimal_places": 0}},
-            "out": [
-                {"F": 1, "H": -1},
-                {"13C": 1, "H": -1, "2H": 3},
-                {"H": -2, "C": -1, "S": 1},
-                {"H": 2, "C": 4, "O": -2},
-                {"H": -2, "C": -1, "O": 2},
-            ],
-        },  # pyqms.UnimodMapper.appMass2element_list
-        {
-            "in": {"args": [18], "kwargs": {"decimal_places": 0}},
-            "out": ["Fluoro", "Methyl:2H(3)13C(1)", "Xle->Met", "Glu->Phe", "Pro->Asp"],
-        },  # pyqms.UnimodMapper.appMass2name_list
-        {
-            "in": {"args": ["C(2)H(3)N(1)O(1)"]},
-            "out": ["Carbamidomethyl", "Ala->Gln", "Gly->Asn", "Gly"],
-        },
-        {"in": {"args": ["Ala->Gln"]}, "out": ["A"]},
-        {"in": {"args": ["C(22)H(30)2H(8)N(4)O(6)S(1)"]}, "out": ["9"]},
-        {"in": {"args": ["C(22)H(30)2H(8)N(4)O(6)S(1)"]}, "out": 494.30142},
-        {"in": {"args": ["ThisKeyIsNotPresent", "mass"]}, "out": None},
-        # _map_key_2_index_2_value
-        # end of first data set ...
-    ]
-]
-
-
-def test_set_integirty_test():
-    for test_id, list_of_test in enumerate(TESTS):
-        yield input_list_check, list_of_test
-
-
-def input_list_check(list_of_test):
-    """
-    Checks that the number of tests can actually be zipped
-    with the unimodMapper functions
-    """
-    assert len(list_of_test) <= len(UNIMODMAPPER_FUNCTIONS)
-
-
-def unimodMapper_conversion_test():
-    for test_id, list_of_test in enumerate(TESTS):
-        test_function_association = zip(list_of_test, UNIMODMAPPER_FUNCTIONS)
-        for test_dict, mapper_function in test_function_association:
-            if "kwargs" not in test_dict["in"].keys():
-                test_dict["in"]["kwargs"] = {}
-            yield mapper_function_check, test_dict, mapper_function
-
-
-def mapper_function_check(test_dict, mapper_function):
-    mapper_output = mapper_function(
-        *test_dict["in"]["args"], **test_dict["in"]["kwargs"]
-    )
-    print(mapper_output, test_dict["out"])
-    assert mapper_output == test_dict["out"]
-
-
-class TestResults(unittest.TestCase):
-    def setUp(self):
-        self.alt_mapper = pyqms.UnimodMapper()
-        self.alt_mapper.unimod_xml_name = "wrong_unimod_xml_name.xml"
-
-    def crash_test(self):
-        with self.assertRaises(SystemExit) as system_exit_check:
-            self.alt_mapper._parseXML()
-        self.assertEqual(system_exit_check.exception.code, 1)
-        return
-
-
-if __name__ == "__main__":
-    print("Yes!")
diff --git a/tests/adaptor_parse_evidence_and_format_fixed_labels_test.py b/tests/adaptor_parse_evidence_and_format_fixed_labels_test.py
index 8b8f0ad..5f15a2e 100644
--- a/tests/adaptor_parse_evidence_and_format_fixed_labels_test.py
+++ b/tests/adaptor_parse_evidence_and_format_fixed_labels_test.py
@@ -27,8 +27,10 @@
 from pyqms.adaptors import (
     _parse_evidence_and_format_fixed_labels as _parse_evidence_and_format_fixed_labels,
 )
+from pathlib import Path
 import os
 
+unimod_file_list = [Path("tests", "data", "usermod.xml")]
 
 TESTS = [
     {
@@ -53,6 +55,7 @@
                 "CLEINERTEST#Carbamidomethyl:1;Oxidation:2",
             ],
             "evidence_score_field": "PEP",
+            "unimod_file_list": unimod_file_list,
         },
         "output": {
             "fixed_labels": {"C": ["C(2)H(3)14N(1)O(1)", ""]},
@@ -65,6 +68,7 @@
             "charges": ["True", "False", "2", "3", "4", "5"],
             "molecules": [],
             "evidence_score_field": "PEP",
+            "unimod_file_list": unimod_file_list,
         },
         "output": {"charges": set([2, 3, 4, 5])},
     },
@@ -80,6 +84,7 @@
             "charges": [],
             "molecules": [],
             "evidence_score_field": "PEP",
+            "unimod_file_list": unimod_file_list,
         },
         "output": {
             "params": {
@@ -96,6 +101,7 @@
             "charges": ["B"],
             "molecules": [],
             "evidence_score_field": None,
+            "unimod_file_list": unimod_file_list,
         },
         "output": {"charges": []},
     },
@@ -109,7 +115,9 @@ def adaptor_test():
 
 def adaptor_check(test_dict):
 
-    result_dict = _parse_evidence_and_format_fixed_labels(test_dict["input"])
+    result_dict = _parse_evidence_and_format_fixed_labels(
+        test_dict["input"], unimod_file_list=unimod_file_list
+    )
     print(result_dict)
     for key in test_dict["output"].keys():
         if key == "fixed_labels":
diff --git a/tests/adaptor_parse_evidence_file_test.py b/tests/adaptor_parse_evidence_file_test.py
index 68de0f5..17ad09e 100644
--- a/tests/adaptor_parse_evidence_file_test.py
+++ b/tests/adaptor_parse_evidence_file_test.py
@@ -27,8 +27,11 @@
 from pyqms.adaptors import parse_evidence as parse_evidence
 import os
 import pyqms
+from chemical_composition import ChemicalComposition
+from pathlib import Path
 
-tmp_cc_factory = pyqms.chemical_composition.ChemicalComposition()
+unimod_file_list = [Path("tests", "data", "usermod.xml")]
+tmp_cc_factory = ChemicalComposition(unimod_file_list=unimod_file_list)
 
 tmp_cc_factory.add_chemical_formula("C2O1H3N1")
 TESTS = [
@@ -39,6 +42,7 @@
             "molecules": None,
             "evidence_score_field": None,
             "evidence_files": [os.path.join("tests", "data", "test_BSA_evidence.csv")],
+            "unimod_file_list": unimod_file_list,
         },
         "output": {
             "molecules": [
@@ -63,6 +67,7 @@
             "molecules": None,
             "evidence_score_field": None,
             "evidence_files": [os.path.join("tests", "data", "test_BSA_evidence.csv")],
+            "unimod_file_list": unimod_file_list,
         },
         "output": {"molecules": ["CCTESLVNR", "DDSPDLPK", "+C37H59N9O16"]},
     },
@@ -80,6 +85,7 @@
             "molecules": None,
             "evidence_score_field": None,
             "evidence_files": [os.path.join("tests", "data", "test_BSA_evidence.csv")],
+            "unimod_file_list": unimod_file_list,
         },
         "output": {"molecules": ["CCTESLVNR", "DDSPDLPK", "+C37H59N9O16"]},
     },
@@ -97,45 +103,7 @@
             "molecules": None,
             "evidence_score_field": None,
             "evidence_files": [os.path.join("data", "BSA1_omssa_2_1_9_unified.csv")],
-        },
-        "output": {
-            "molecules": [
-                "AEFVEVTK",
-                "CCTESLVNR",
-                "DDSPDLPK",
-                "DLGEEHFK",
-                "EACFAVEGPK",
-                "ECCDKPLLEK",
-                "ETYGDMADCCEK",
-                "EYEATLEECCAK",
-                "GACLLPK",
-                "HLVDEPQNLIK",
-                "LCVLHEK",
-                "LKPDPNTLCDEFK",
-                "LKPDPNTLCDEFK#Oxidation:1",
-                "LKPDPNTLCDEFK#Oxidation:1;Oxidation:2",
-                "LVTDLTK",
-                "LVVSTQTALA",
-                "SHCIAEVEK",
-                "YICDNQDTISSK",
-                "YLYEIAR",
-            ]
-        },
-    },
-    {
-        # full evidence parse
-        "input": {
-            "fixed_labels": {
-                "C": [
-                    {
-                        "element_composition": tmp_cc_factory,
-                        "evidence_mod_name": "Carbamidomethyl",
-                    }
-                ]
-            },
-            "molecules": None,
-            "evidence_score_field": None,
-            "evidence_files": [os.path.join("data", "BSA1_omssa_2_1_9.mztab")],
+            "unimod_file_list": unimod_file_list,
         },
         "output": {
             "molecules": [
@@ -178,17 +146,23 @@ def adaptor_check(test_dict):
     assert sorted(molecule_list) == sorted(test_dict["output"]["molecules"])
     for formula in evidence_lookup.keys():
         for molecule in evidence_lookup[formula].keys():
-            if len(evidence_lookup[formula][molecule]['trivial_names']) !=0:
-                for ev_dict in evidence_lookup[formula][molecule]['evidences']:
-                    assert 'trivial_name' in ev_dict.keys()
-                    trivial_name = ev_dict['trivial_name']
-                    if ';' in trivial_name:
-                        trivial_name_list = trivial_name.split(';')
+            if len(evidence_lookup[formula][molecule]["trivial_names"]) != 0:
+                for ev_dict in evidence_lookup[formula][molecule]["evidences"]:
+                    assert "trivial_name" in ev_dict.keys()
+                    trivial_name = ev_dict["trivial_name"]
+                    if ";" in trivial_name:
+                        trivial_name_list = trivial_name.split(";")
                     else:
-                        trivial_name_list = [ trivial_name ]
+                        trivial_name_list = [trivial_name]
                     for tmp_trivial_name in trivial_name_list:
-                        assert tmp_trivial_name in evidence_lookup[formula][molecule]['trivial_names']
-                    assert sorted(evidence_lookup[formula][molecule]['trivial_names']) == sorted(trivial_name_list)
+                        assert (
+                            tmp_trivial_name
+                            in evidence_lookup[formula][molecule]["trivial_names"]
+                        )
+                    assert sorted(
+                        evidence_lookup[formula][molecule]["trivial_names"]
+                    ) == sorted(trivial_name_list)
+
 
 if __name__ == "__main__":
     for test_dict in TESTS:
diff --git a/tests/data/test_BSA_pyqms_results.pkl b/tests/data/test_BSA_pyqms_results.pkl
index 70e89b5..2deefe0 100644
Binary files a/tests/data/test_BSA_pyqms_results.pkl and b/tests/data/test_BSA_pyqms_results.pkl differ
diff --git a/tests/data/test_usermod.xml b/tests/data/test_usermod.xml
new file mode 100644
index 0000000..1492a68
--- /dev/null
+++ b/tests/data/test_usermod.xml
@@ -0,0 +1,395 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no" ?>
+<umod:unimod xmlns:umod="http://www.unimod.org/xmlns/schema/unimod_2" majorVersion="2" minorVersion="0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.unimod.org/xmlns/schema/unimod_2 unimod_2.xsd">
+
+  <umod:elements>
+    <umod:elem avge_mass="1.00794" full_name="Hydrogen" mono_mass="1.007825035" title="H"/>
+    <umod:elem avge_mass="2.014101779" full_name="Deuterium" mono_mass="2.014101779" title="2H"/>
+    <umod:elem avge_mass="6.941" full_name="Lithium" mono_mass="7.016003" title="Li"/>
+    <umod:elem avge_mass="12.0107" full_name="Carbon" mono_mass="12" title="C"/>
+    <umod:elem avge_mass="13.00335483" full_name="Carbon13" mono_mass="13.00335483" title="13C"/>
+    <umod:elem avge_mass="14.0067" full_name="Nitrogen" mono_mass="14.003074" title="N"/>
+    <umod:elem avge_mass="15.00010897" full_name="Nitrogen15" mono_mass="15.00010897" title="15N"/>
+    <umod:elem avge_mass="15.9994" full_name="Oxygen" mono_mass="15.99491463" title="O"/>
+    <umod:elem avge_mass="17.9991603" full_name="Oxygen18" mono_mass="17.9991603" title="18O"/>
+    <umod:elem avge_mass="18.9984032" full_name="Fluorine" mono_mass="18.99840322" title="F"/>
+    <umod:elem avge_mass="22.98977" full_name="Sodium" mono_mass="22.9897677" title="Na"/>
+    <umod:elem avge_mass="30.973761" full_name="Phosphorous" mono_mass="30.973762" title="P"/>
+    <umod:elem avge_mass="32.065" full_name="Sulfur" mono_mass="31.9720707" title="S"/>
+    <umod:elem avge_mass="35.453" full_name="Chlorine" mono_mass="34.96885272" title="Cl"/>
+    <umod:elem avge_mass="39.0983" full_name="Potassium" mono_mass="38.9637074" title="K"/>
+    <umod:elem avge_mass="40.078" full_name="Calcium" mono_mass="39.9625906" title="Ca"/>
+    <umod:elem avge_mass="55.845" full_name="Iron" mono_mass="55.9349393" title="Fe"/>
+    <umod:elem avge_mass="58.6934" full_name="Nickel" mono_mass="57.9353462" title="Ni"/>
+    <umod:elem avge_mass="65.409" full_name="Zinc" mono_mass="63.9291448" title="Zn"/>
+    <umod:elem avge_mass="78.96" full_name="Selenium" mono_mass="79.9165196" title="Se"/>
+    <umod:elem avge_mass="79.904" full_name="Bromine" mono_mass="78.9183361" title="Br"/>
+    <umod:elem avge_mass="107.8682" full_name="Silver" mono_mass="106.905092" title="Ag"/>
+    <umod:elem avge_mass="200.59" full_name="Mercury" mono_mass="201.970617" title="Hg"/>
+    <umod:elem avge_mass="196.96655" full_name="Gold" mono_mass="196.966543" title="Au"/>
+    <umod:elem avge_mass="126.90447" full_name="Iodine" mono_mass="126.904473" title="I"/>
+    <umod:elem avge_mass="95.94" full_name="Molybdenum" mono_mass="97.9054073" title="Mo"/>
+    <umod:elem avge_mass="63.546" full_name="Copper" mono_mass="62.9295989" title="Cu"/>
+    <umod:elem avge_mass="0.000549" full_name="electron" mono_mass="0.000549" title="e"/>
+    <umod:elem avge_mass="10.811" full_name="Boron" mono_mass="11.0093055" title="B"/>
+    <umod:elem avge_mass="74.9215942" full_name="Arsenic" mono_mass="74.9215942" title="As"/>
+    <umod:elem avge_mass="112.411" full_name="Cadmium" mono_mass="113.903357" title="Cd"/>
+    <umod:elem avge_mass="51.9961" full_name="Chromium" mono_mass="51.9405098" title="Cr"/>
+    <umod:elem avge_mass="58.933195" full_name="Cobalt" mono_mass="58.9331976" title="Co"/>
+    <umod:elem avge_mass="54.938045" full_name="Manganese" mono_mass="54.9380471" title="Mn"/>
+    <umod:elem avge_mass="24.305" full_name="Magnesium" mono_mass="23.9850423" title="Mg"/>
+    <umod:elem avge_mass="106.42" full_name="Palladium" mono_mass="105.903478" title="Pd"/>
+  </umod:elements>
+
+  <umod:modifications>
+    <umod:mod approved="true" date_time_modified="2015-06-10 17-00-40" date_time_posted="2015-06-10 17-00-04" full_name="SILAC K+6 + TMT modification" group_of_poster="guest" title="SILAC TMT" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="235.2194" composition="13C(10) 15N C(2) H(20) N O(2)" mono_mass="235.183061">
+        <umod:element number="10" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+  </umod:modifications>
+
+  <umod:amino_acids>
+    <umod:aa avge_mass="0.0000" full_name="" mono_mass="0.000000" three_letter="" title="-"/>
+    <umod:aa avge_mass="150.0379" full_name="Selenocysteine" mono_mass="150.953633" three_letter="Sel" title="U">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="Se"/>
+    </umod:aa>
+    <umod:aa avge_mass="237.2982" full_name="Pyrrolysine" mono_mass="237.147727" three_letter="Pyr" title="O">
+      <umod:element number="19" symbol="H"/>
+      <umod:element number="12" symbol="C"/>
+      <umod:element number="3" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Leu or Ile" mono_mass="113.084064" three_letter="Xle" title="J">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="71.0779" full_name="Alanine" mono_mass="71.037114" three_letter="Ala" title="A">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="156.1857" full_name="Arginine" mono_mass="156.101111" three_letter="Arg" title="R">
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="4" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="114.1026" full_name="Asparagine" mono_mass="114.042927" three_letter="Asn" title="N">
+      <umod:element number="6" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="115.0874" full_name="Aspartic acid" mono_mass="115.026943" three_letter="Asp" title="D">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="103.1429" full_name="Cysteine" mono_mass="103.009185" three_letter="Cys" title="C">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="S"/>
+    </umod:aa>
+    <umod:aa avge_mass="129.1140" full_name="Glutamic acid" mono_mass="129.042593" three_letter="Glu" title="E">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="128.1292" full_name="Glutamine" mono_mass="128.058578" three_letter="Gln" title="Q">
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="57.0513" full_name="Glycine" mono_mass="57.021464" three_letter="Gly" title="G">
+      <umod:element number="3" symbol="H"/>
+      <umod:element number="2" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="137.1393" full_name="Histidine" mono_mass="137.058912" three_letter="His" title="H">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="3" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Isoleucine" mono_mass="113.084064" three_letter="Ile" title="I">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Leucine" mono_mass="113.084064" three_letter="Leu" title="L">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="128.1723" full_name="Lysine" mono_mass="128.094963" three_letter="Lys" title="K">
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="131.1961" full_name="Methionine" mono_mass="131.040485" three_letter="Met" title="M">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="S"/>
+    </umod:aa>
+    <umod:aa avge_mass="147.1739" full_name="Phenylalanine" mono_mass="147.068414" three_letter="Phe" title="F">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="97.1152" full_name="Proline" mono_mass="97.052764" three_letter="Pro" title="P">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="87.0773" full_name="Serine" mono_mass="87.032028" three_letter="Ser" title="S">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="101.1039" full_name="Threonine" mono_mass="101.047679" three_letter="Thr" title="T">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="186.2099" full_name="Tryptophan" mono_mass="186.079313" three_letter="Trp" title="W">
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="163.1733" full_name="Tyrosine" mono_mass="163.063329" three_letter="Tyr" title="Y">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="99.1311" full_name="Valine" mono_mass="99.068414" three_letter="Val" title="V">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="1.0079" full_name="N-term" mono_mass="1.007825" three_letter="N-term" title="N-term">
+      <umod:element number="1" symbol="H"/>
+    </umod:aa>
+    <umod:aa avge_mass="17.0073" full_name="C-term" mono_mass="17.002740" three_letter="C-term" title="C-term">
+      <umod:element number="1" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+  </umod:amino_acids>
+
+  <umod:mod_bricks>
+    <umod:brick avge_mass="0.0000" full_name="" mono_mass="0.000000" title="-"/>
+    <umod:brick avge_mass="1.0079" full_name="Hydrogen" mono_mass="1.007825" title="H">
+      <umod:element number="1" symbol="H"/>
+    </umod:brick>
+    <umod:brick avge_mass="12.0107" full_name="Carbon" mono_mass="12.000000" title="C">
+      <umod:element number="1" symbol="C"/>
+    </umod:brick>
+    <umod:brick avge_mass="14.0067" full_name="Nitrogen" mono_mass="14.003074" title="N">
+      <umod:element number="1" symbol="N"/>
+    </umod:brick>
+    <umod:brick avge_mass="15.9994" full_name="Oxygen" mono_mass="15.994915" title="O">
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="30.9738" full_name="Phosphorous" mono_mass="30.973762" title="P">
+      <umod:element number="1" symbol="P"/>
+    </umod:brick>
+    <umod:brick avge_mass="32.0650" full_name="Sulphur" mono_mass="31.972071" title="S">
+      <umod:element number="1" symbol="S"/>
+    </umod:brick>
+    <umod:brick avge_mass="2.0141" full_name="Deuterium" mono_mass="2.014102" title="2H">
+      <umod:element number="1" symbol="2H"/>
+    </umod:brick>
+    <umod:brick avge_mass="17.9992" full_name="Oxygen 18" mono_mass="17.999160" title="18O">
+      <umod:element number="1" symbol="18O"/>
+    </umod:brick>
+    <umod:brick avge_mass="18.9984" full_name="Fluorine" mono_mass="18.998403" title="F">
+      <umod:element number="1" symbol="F"/>
+    </umod:brick>
+    <umod:brick avge_mass="22.9898" full_name="Sodium" mono_mass="22.989768" title="Na">
+      <umod:element number="1" symbol="Na"/>
+    </umod:brick>
+    <umod:brick avge_mass="78.9600" full_name="Selenium" mono_mass="79.916520" title="Se">
+      <umod:element number="1" symbol="Se"/>
+    </umod:brick>
+    <umod:brick avge_mass="162.1406" full_name="Hexose" mono_mass="162.052823" title="Hex">
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="5" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="203.1925" full_name="N-Acetyl Hexosamine" mono_mass="203.079373" title="HexNAc">
+      <umod:element number="8" symbol="C"/>
+      <umod:element number="13" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="5" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="42.0367" full_name="Acetate" mono_mass="42.010565" title="Ac">
+      <umod:element number="2" symbol="C"/>
+      <umod:element number="2" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="146.1412" full_name="Deoxy-hexose" mono_mass="146.057909" title="dHex">
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="4" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="176.1241" full_name="Hexosamine" mono_mass="176.032088" title="HexA">
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="6" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="250.2027" full_name="3-deoxy-d-glycero-D-galacto-nonulosonic acid" mono_mass="250.068868" title="Kdn">
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="14" symbol="H"/>
+      <umod:element number="8" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="220.1767" full_name="2-keto-3-deoxyoctulosonic acid" mono_mass="220.058303" title="Kdo">
+      <umod:element number="8" symbol="C"/>
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="7" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="14.0266" full_name="Methyl" mono_mass="14.015650" title="Me">
+      <umod:element number="1" symbol="C"/>
+      <umod:element number="2" symbol="H"/>
+    </umod:brick>
+    <umod:brick avge_mass="291.2546" full_name="N-acetyl neuraminic acid" mono_mass="291.095417" title="NeuAc">
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="17" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="8" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="307.2540" full_name="N-glycoyl neuraminic acid" mono_mass="307.090331" title="NeuGc">
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="17" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="9" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="18.0153" full_name="Water" mono_mass="18.010565" title="Water">
+      <umod:element number="2" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="79.9799" full_name="Phosphate" mono_mass="79.966331" title="Phos">
+      <umod:element number="1" symbol="H"/>
+      <umod:element number="1" symbol="P"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="80.0632" full_name="Sulfate" mono_mass="79.956815" title="Sulf">
+      <umod:element number="1" symbol="S"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="132.1146" full_name="Pentose" mono_mass="132.042259" title="Pent">
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="4" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="6.9410" full_name="Lithium" mono_mass="7.016003" title="Li">
+      <umod:element number="1" symbol="Li"/>
+    </umod:brick>
+    <umod:brick avge_mass="13.0034" full_name="Carbon 13" mono_mass="13.003355" title="13C">
+      <umod:element number="1" symbol="13C"/>
+    </umod:brick>
+    <umod:brick avge_mass="15.0001" full_name="Nitrogen 15" mono_mass="15.000109" title="15N">
+      <umod:element number="1" symbol="15N"/>
+    </umod:brick>
+    <umod:brick avge_mass="35.4530" full_name="Chlorine" mono_mass="34.968853" title="Cl">
+      <umod:element number="1" symbol="Cl"/>
+    </umod:brick>
+    <umod:brick avge_mass="39.0983" full_name="Potassium" mono_mass="38.963707" title="K">
+      <umod:element number="1" symbol="K"/>
+    </umod:brick>
+    <umod:brick avge_mass="40.0780" full_name="Calcium" mono_mass="39.962591" title="Ca">
+      <umod:element number="1" symbol="Ca"/>
+    </umod:brick>
+    <umod:brick avge_mass="55.8450" full_name="Iron" mono_mass="55.934939" title="Fe">
+      <umod:element number="1" symbol="Fe"/>
+    </umod:brick>
+    <umod:brick avge_mass="58.6934" full_name="Nickel" mono_mass="57.935346" title="Ni">
+      <umod:element number="1" symbol="Ni"/>
+    </umod:brick>
+    <umod:brick avge_mass="65.4090" full_name="Zinc" mono_mass="63.929145" title="Zn">
+      <umod:element number="1" symbol="Zn"/>
+    </umod:brick>
+    <umod:brick avge_mass="79.9040" full_name="Bromine" mono_mass="78.918336" title="Br">
+      <umod:element number="1" symbol="Br"/>
+    </umod:brick>
+    <umod:brick avge_mass="107.8682" full_name="Silver" mono_mass="106.905092" title="Ag">
+      <umod:element number="1" symbol="Ag"/>
+    </umod:brick>
+    <umod:brick avge_mass="200.5900" full_name="Mercury" mono_mass="201.970617" title="Hg">
+      <umod:element number="1" symbol="Hg"/>
+    </umod:brick>
+    <umod:brick avge_mass="196.9666" full_name="Gold" mono_mass="196.966543" title="Au">
+      <umod:element number="1" symbol="Au"/>
+    </umod:brick>
+    <umod:brick avge_mass="126.9045" full_name="Iodine" mono_mass="126.904473" title="I">
+      <umod:element number="1" symbol="I"/>
+    </umod:brick>
+    <umod:brick avge_mass="95.9400" full_name="Molybdenum" mono_mass="97.905407" title="Mo">
+      <umod:element number="1" symbol="Mo"/>
+    </umod:brick>
+    <umod:brick avge_mass="63.5460" full_name="Copper" mono_mass="62.929599" title="Cu">
+      <umod:element number="1" symbol="Cu"/>
+    </umod:brick>
+    <umod:brick avge_mass="192.1666" full_name="Heptose" mono_mass="192.063388" title="Hep">
+      <umod:element number="7" symbol="C"/>
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="10.8110" full_name="Boron" mono_mass="11.009305" title="B">
+      <umod:element number="1" symbol="B"/>
+    </umod:brick>
+    <umod:brick avge_mass="74.9216" full_name="Arsenic" mono_mass="74.921594" title="As">
+      <umod:element number="1" symbol="As"/>
+    </umod:brick>
+    <umod:brick avge_mass="112.4110" full_name="Cadmium" mono_mass="113.903357" title="Cd">
+      <umod:element number="1" symbol="Cd"/>
+    </umod:brick>
+    <umod:brick avge_mass="51.9961" full_name="Chromium" mono_mass="51.940510" title="Cr">
+      <umod:element number="1" symbol="Cr"/>
+    </umod:brick>
+    <umod:brick avge_mass="58.9332" full_name="Cobalt" mono_mass="58.933198" title="Co">
+      <umod:element number="1" symbol="Co"/>
+    </umod:brick>
+    <umod:brick avge_mass="54.9380" full_name="Manganese" mono_mass="54.938047" title="Mn">
+      <umod:element number="1" symbol="Mn"/>
+    </umod:brick>
+    <umod:brick avge_mass="24.3050" full_name="Magnesium" mono_mass="23.985042" title="Mg">
+      <umod:element number="1" symbol="Mg"/>
+    </umod:brick>
+    <umod:brick avge_mass="106.4200" full_name="Palladium" mono_mass="105.903478" title="Pd">
+      <umod:element number="1" symbol="Pd"/>
+    </umod:brick>
+  </umod:mod_bricks>
+
+</umod:unimod>
diff --git a/tests/data/usermod.xml b/tests/data/usermod.xml
new file mode 100644
index 0000000..af192ce
--- /dev/null
+++ b/tests/data/usermod.xml
@@ -0,0 +1,3930 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no" ?>
+<umod:unimod xmlns:umod="http://www.unimod.org/xmlns/schema/unimod_2" majorVersion="2" minorVersion="0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.unimod.org/xmlns/schema/unimod_2 unimod_2.xsd">
+
+  <umod:elements>
+    <umod:elem avge_mass="1.00794" full_name="Hydrogen" mono_mass="1.007825035" title="H"/>
+    <umod:elem avge_mass="2.014101779" full_name="Deuterium" mono_mass="2.014101779" title="2H"/>
+    <umod:elem avge_mass="6.941" full_name="Lithium" mono_mass="7.016003" title="Li"/>
+    <umod:elem avge_mass="12.0107" full_name="Carbon" mono_mass="12" title="C"/>
+    <umod:elem avge_mass="13.00335483" full_name="Carbon13" mono_mass="13.00335483" title="13C"/>
+    <umod:elem avge_mass="14.0067" full_name="Nitrogen" mono_mass="14.003074" title="N"/>
+    <umod:elem avge_mass="15.00010897" full_name="Nitrogen15" mono_mass="15.00010897" title="15N"/>
+    <umod:elem avge_mass="15.9994" full_name="Oxygen" mono_mass="15.99491463" title="O"/>
+    <umod:elem avge_mass="17.9991603" full_name="Oxygen18" mono_mass="17.9991603" title="18O"/>
+    <umod:elem avge_mass="18.9984032" full_name="Fluorine" mono_mass="18.99840322" title="F"/>
+    <umod:elem avge_mass="22.98977" full_name="Sodium" mono_mass="22.9897677" title="Na"/>
+    <umod:elem avge_mass="30.973761" full_name="Phosphorous" mono_mass="30.973762" title="P"/>
+    <umod:elem avge_mass="32.065" full_name="Sulfur" mono_mass="31.9720707" title="S"/>
+    <umod:elem avge_mass="35.453" full_name="Chlorine" mono_mass="34.96885272" title="Cl"/>
+    <umod:elem avge_mass="39.0983" full_name="Potassium" mono_mass="38.9637074" title="K"/>
+    <umod:elem avge_mass="40.078" full_name="Calcium" mono_mass="39.9625906" title="Ca"/>
+    <umod:elem avge_mass="55.845" full_name="Iron" mono_mass="55.9349393" title="Fe"/>
+    <umod:elem avge_mass="58.6934" full_name="Nickel" mono_mass="57.9353462" title="Ni"/>
+    <umod:elem avge_mass="65.409" full_name="Zinc" mono_mass="63.9291448" title="Zn"/>
+    <umod:elem avge_mass="78.96" full_name="Selenium" mono_mass="79.9165196" title="Se"/>
+    <umod:elem avge_mass="79.904" full_name="Bromine" mono_mass="78.9183361" title="Br"/>
+    <umod:elem avge_mass="107.8682" full_name="Silver" mono_mass="106.905092" title="Ag"/>
+    <umod:elem avge_mass="200.59" full_name="Mercury" mono_mass="201.970617" title="Hg"/>
+    <umod:elem avge_mass="196.96655" full_name="Gold" mono_mass="196.966543" title="Au"/>
+    <umod:elem avge_mass="126.90447" full_name="Iodine" mono_mass="126.904473" title="I"/>
+    <umod:elem avge_mass="95.94" full_name="Molybdenum" mono_mass="97.9054073" title="Mo"/>
+    <umod:elem avge_mass="63.546" full_name="Copper" mono_mass="62.9295989" title="Cu"/>
+    <umod:elem avge_mass="0.000549" full_name="electron" mono_mass="0.000549" title="e"/>
+    <umod:elem avge_mass="10.811" full_name="Boron" mono_mass="11.0093055" title="B"/>
+    <umod:elem avge_mass="74.9215942" full_name="Arsenic" mono_mass="74.9215942" title="As"/>
+    <umod:elem avge_mass="112.411" full_name="Cadmium" mono_mass="113.903357" title="Cd"/>
+    <umod:elem avge_mass="51.9961" full_name="Chromium" mono_mass="51.9405098" title="Cr"/>
+    <umod:elem avge_mass="58.933195" full_name="Cobalt" mono_mass="58.9331976" title="Co"/>
+    <umod:elem avge_mass="54.938045" full_name="Manganese" mono_mass="54.9380471" title="Mn"/>
+    <umod:elem avge_mass="24.305" full_name="Magnesium" mono_mass="23.9850423" title="Mg"/>
+    <umod:elem avge_mass="106.42" full_name="Palladium" mono_mass="105.903478" title="Pd"/>
+  </umod:elements>
+
+  <umod:modifications>
+    <umod:mod approved="true" date_time_modified="2015-06-10 17-00-40" date_time_posted="2015-06-10 17-00-04" full_name="SILAC K+6 + TMT modification" group_of_poster="guest" title="SILAC K+6 TMT" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="235.2194" composition="13C(10) 15N C(2) H(20) N O(2)" mono_mass="235.183061">
+        <umod:element number="10" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-10 17-00-51" date_time_posted="2015-06-10 16-58-49" full_name="SILAC K+8 + TMT modification" group_of_poster="guest" title="SILAC K+8 TMT" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="237.2062" composition="13C(10) 15N(3) C(2) H(20) N(-1) O(2)" mono_mass="237.177131">
+        <umod:element number="10" symbol="13C"/>
+        <umod:element number="3" symbol="15N"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-10 17-16-26" date_time_posted="2015-06-10 17-16-26" full_name="S2ME:K+34" group_of_poster="guest" title="S2ME:K+34" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="34.0631" composition="13C(2) 2H(4)" mono_mass="34.063117">
+        <umod:element number="2" symbol="13C"/>
+        <umod:element number="4" symbol="2H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-10 17-19-48" date_time_posted="2015-06-10 17-19-48" full_name="S2ME:R+10" group_of_poster="guest" title="S2ME:R+10" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="9.9296" composition="13C(6) 15N(4) C(-6) N(-4)" mono_mass="10.008269">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="4" symbol="15N"/>
+        <umod:element number="-6" symbol="C"/>
+        <umod:element number="-4" symbol="N"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-10 17-45-06" date_time_posted="2015-06-10 17-45-06" full_name="Cleaved JAK diol linker + H2O" group_of_poster="guest" title="Cleaved JAK diol linker + H2O" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="795.9115" composition="C(35) H(49) N(13) O(7) S" mono_mass="795.359862">
+        <umod:element number="35" symbol="C"/>
+        <umod:element number="49" symbol="H"/>
+        <umod:element number="13" symbol="N"/>
+        <umod:element number="7" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-10 17-46-41" date_time_posted="2015-06-10 17-46-41" full_name="acetylation of lysine with 13C" group_of_poster="guest" title="Acetyl 13C" username_of_poster="guest">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Protein N-term" site="N-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="44.0220" composition="13C(2) H(2) O" mono_mass="44.017274">
+        <umod:element number="2" symbol="13C"/>
+        <umod:element number="2" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-10 17-51-47" date_time_posted="2015-06-10 17-51-47" full_name="2-(2-iodoacetamido)ethyl dihydrogen phosphate" group_of_poster="guest" title="PIAA" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="181.0838" composition="C(4) H(8) N O(5) P" mono_mass="181.014009">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="8" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="5" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-10 17-54-29" date_time_posted="2015-06-10 17-52-34" full_name="PIAA plus NL (C)" group_of_poster="guest" title="PIAA plus NL (C)" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="181.0838" composition="C(4) H(8) N O(5) P" mono_mass="181.014009">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="8" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="5" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-10 17-56-32" date_time_posted="2015-06-10 17-56-32" full_name="N-acetyl-p-benzo-quinoneimine (Acetaminophen metabolite)" group_of_poster="guest" title="NAPQI" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="149.1467" composition="C(8) H(7) N O(2)" mono_mass="149.047679">
+        <umod:element number="8" symbol="C"/>
+        <umod:element number="7" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 00-09-14" date_time_posted="2010-04-22 22:05:46" full_name="cysteine-reactive Sixplex Tandem Mass Tag" group_of_poster="guest" title="cysTMT6plex" username_of_poster="jorogers6">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="304.3962" composition="13C(4) 15N C(10) H(25) N(2) O(2) S" mono_mass="304.177202">
+        <umod:element number="4" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="10" symbol="C"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="2" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+      <umod:alt_name>cysteine-reactive Sixplex Tandem Mass Tag</umod:alt_name>
+      <umod:xref>
+        <umod:text>John.C.Rogers@thermo.com</umod:text>
+        <umod:source>Other</umod:source>
+      </umod:xref>
+      <umod:misc_notes>This modification describes the isobaric sixplex cysteine-reactive cysTMT6 Reagents with isotopic labels. Upon CID, these reagents release reporter ions of 126.127725, 127.131079, 128.134433, 129.137787, 130.141141, and 131.138176 (monoisotopic mass).</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 12-18-12" date_time_posted="2008-09-03 15:17:21" full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, +10 Da form" group_of_poster="guest" title="ICPL:13C(6)2H(4)" username_of_poster="suckau">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes>Use when labelling post-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="115.0747" composition="13C(6) 2H(4) H(-1) N O" mono_mass="115.066700">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="-1" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>ICPL_10</umod:alt_name>
+      <umod:xref>
+        <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15.</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Bruker Daltonics order reference</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url>
+      </umod:xref>
+      <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 13-36-59" date_time_posted="2006-11-13 19:05:12" full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, medium form" group_of_poster="guest" title="ICPL:2H(4)" username_of_poster="suckau">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes>Use when labelling post-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="109.1188" composition="2H(4) C(6) H(-1) N O" mono_mass="109.046571">
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="6" symbol="C"/>
+        <umod:element number="-1" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Bruker Daltonics order reference</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15602776</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 13-37-52" date_time_posted="2005-09-19 12:45:52" full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, heavy form" group_of_poster="guest" title="ICPL:13C(6)" username_of_poster="suckau">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes>Use when labelling post-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="111.0500" composition="13C(6) H(3) N O" mono_mass="111.041593">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="3" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Bruker Daltonics order reference</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 13-38-29" date_time_posted="2005-09-19 13:00:14" full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, light form" group_of_poster="guest" title="ICPL" username_of_poster="suckau">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes>Use when labelling post-digest</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="105.0941" composition="C(6) H(3) N O" mono_mass="105.021464">
+        <umod:element number="6" symbol="C"/>
+        <umod:element number="3" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Bruker Daltonics order reference</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15.</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 13-41-01" date_time_posted="2003-01-27 10:32:53" full_name="Applied Biosystems cleavable ICAT(TM) heavy" group_of_poster="guest" title="ICAT-C:13C(9)" username_of_poster="tpjd2">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="236.1942" composition="13C(9) C H(17) N(3) O(3)" mono_mass="236.157185">
+        <umod:element number="9" symbol="13C"/>
+        <umod:element number="1" symbol="C"/>
+        <umod:element number="17" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Applied Biosystems product page</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&amp;catID=600902</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>ICAT page from the Royal Society of Chemistry</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 14-29-21" date_time_posted="2003-01-27 10:27:11" full_name="Applied Biosystems cleavable ICAT(TM) light" group_of_poster="guest" title="ICAT-C" username_of_poster="tpjd2">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="227.2603" composition="C(10) H(17) N(3) O(3)" mono_mass="227.126991">
+        <umod:element number="10" symbol="C"/>
+        <umod:element number="17" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>ICAT page from the Royal Society of Chemistry</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Applied Biosystems product page</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&amp;catID=600902</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 14-30-56" date_time_posted="2015-06-10 17-15-25" full_name="S2ME:K+28" group_of_poster="guest" title="S2ME:K+28" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0532" composition="C(2) H(4)" mono_mass="28.031300">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 14-32-16" date_time_posted="2015-06-10 17-44-08" full_name="Cleaved JAK diol linker" group_of_poster="guest" title="Cleaved JAK diol linker" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="777.8962" composition="C(35) H(47) N(13) O(6) S" mono_mass="777.349297">
+        <umod:element number="35" symbol="C"/>
+        <umod:element number="47" symbol="H"/>
+        <umod:element number="13" symbol="N"/>
+        <umod:element number="6" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-11 16-02-27" date_time_posted="2015-06-11 15-50-25" full_name="S2ME:nt+28" group_of_poster="guest" title="S2ME:nt+28" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0532" composition="C(2) H(4)" mono_mass="28.031300">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-12 15-05-53" date_time_posted="2002-08-19 19:17:11" full_name="tri-Methylation" group_of_poster="guest" title="Trimethyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="A" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Anywhere" site="R" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:NeutralLoss avge_mass="59.1103" composition="C(3) H(9) N" flag="false" mono_mass="59.073499">
+          <umod:element number="3" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="1" symbol="N"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss composition="" flag="false"/>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="42.0797" composition="C(3) H(6)" mono_mass="42.046950">
+        <umod:element number="3" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Zhang, K. et al. 2004. Differentiation between
+
+peptides containing acetylated or tri-methylated
+
+lysines by mass spectrometry: an application
+
+for determining lysine 9 acetylation
+
+and methylation of histone H3. Proteomics
+
+4:1-10.</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>TRIMETH</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Explanation of why RESID gives the delta as 43 Da</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.ebi.ac.uk/RESID/faq.html#q12</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>J. Hirota et. al., Rapid Commun. Mass Spectrom., 17 371-6 (2003)</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0062</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12590383</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0074</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Role of arginine and its methylated derivatives in cancer biology and treatment</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.cancerci.com/content/1/1/3</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-12 15-26-01" date_time_posted="2003-01-30 09:52:51" full_name="N-ethylmaleimide on cysteines" group_of_poster="guest" title="Nethylmaleimide" username_of_poster="Pflieger">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="125.1253" composition="C(6) H(7) N O(2)" mono_mass="125.047679">
+        <umod:element number="6" symbol="C"/>
+        <umod:element number="7" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>CysNEM</umod:alt_name>
+      <umod:xref>
+        <umod:text>reaction</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.chemistry.ucsc.edu/~fink/231/Image118.gif</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12777388</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11813307</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-12 15-29-38" date_time_posted="2015-06-10 17-39-05" full_name="dihydroxyimidazoline introduced by reaction of Arg with 1,2-Butanedione" group_of_poster="guest" title="dihydroxyimidazoline" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="86.0892" composition="C(4) H(6) O(2)" mono_mass="86.036779">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>16038304</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-12 15-31-20" date_time_posted="2002-08-19 19:17:11" full_name="Farnesylation" group_of_poster="guest" title="Farnesyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="204.3511" composition="C(15) H(24)" mono_mass="204.187801">
+        <umod:element number="15" symbol="C"/>
+        <umod:element number="24" symbol="H"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>15609361</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0102</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>FARN</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-12 16-02-20" date_time_posted="2015-06-10 17-55-44" full_name="PIAA plus NL (K)" group_of_poster="guest" title="PIAA plus NL (K)" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="181.0838" composition="C(4) H(8) N O(5) P" mono_mass="181.014009">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="8" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="5" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-12 16-22-18" date_time_posted="2007-03-01 13:44:23" full_name="Sixplex Tandem Mass Tag" group_of_poster="guest" title="TMT6plex" username_of_poster="JUergen.schaefer">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="H" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="S" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="T" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="229.2634" composition="13C(4) 15N C(8) H(20) N O(2)" mono_mass="229.162932">
+        <umod:element number="4" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="8" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Sixplex Tandem Mass Tag</umod:alt_name>
+      <umod:alt_name>Tandem Mass Tag sixplex labelling kit Proteome Sciences</umod:alt_name>
+      <umod:xref>
+        <umod:text>Juergen.Schaefer@Proteomics.com</umod:text>
+        <umod:source>Other</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-06-12 16-23-16" date_time_posted="2007-03-01 13:53:36" full_name="Duplex Tandem Mass Tag" group_of_poster="guest" title="TMT2plex" username_of_poster="JUergen.schaefer">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="H" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="S" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="T" spec_group="6">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="225.2921" composition="13C C(11) H(20) N(2) O(2)" mono_mass="225.155833">
+        <umod:element number="1" symbol="13C"/>
+        <umod:element number="11" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="2" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Tandem Mass Tag Duplex labelling kit Proteome Sciences</umod:alt_name>
+      <umod:alt_name>Duplex Tandem Mass Tag</umod:alt_name>
+      <umod:xref>
+        <umod:text>Juergen.Schaefer@Proteomics.com</umod:text>
+        <umod:source>Other</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-15 11-08-35" date_time_posted="2004-08-30 16:23:02" full_name="13C(6) 15N(2) Silac label" group_of_poster="guest" title="SILAC:K+8" username_of_poster="hs01">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="L" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="7.9427" composition="13C(6) 15N(2) C(-6) N(-2)" mono_mass="8.014199">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="2" symbol="15N"/>
+        <umod:element number="-6" symbol="C"/>
+        <umod:element number="-2" symbol="N"/>
+      </umod:delta>
+      <umod:alt_name>heavy lysine</umod:alt_name>
+      <umod:xref>
+        <umod:text>Silac introduction</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12716131</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-15 11-09-12" date_time_posted="2004-10-20 17:49:33" full_name="13C(6) 15N(4) Silac label" group_of_poster="guest" title="SILAC:R+10" username_of_poster="AFCS">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="1">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="9.9296" composition="13C(6) 15N(4) C(-6) N(-4)" mono_mass="10.008269">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="4" symbol="15N"/>
+        <umod:element number="-6" symbol="C"/>
+        <umod:element number="-4" symbol="N"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Silac introduction</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12716131</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-15 11-36-39" date_time_posted="2015-06-10 17-18-36" full_name="S2ME:K+42" group_of_poster="guest" title="S2ME:K+42" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="42.0059" composition="13C(8) 15N(2) 2H(4) C(-6) N(-2)" mono_mass="42.077316">
+        <umod:element number="8" symbol="13C"/>
+        <umod:element number="2" symbol="15N"/>
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="-6" symbol="C"/>
+        <umod:element number="-2" symbol="N"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-15 11-39-19" date_time_posted="2015-06-10 17-14-13" full_name="S2ME:nt+34" group_of_poster="guest" title="S2ME:nt+34" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="34.0631" composition="13C(2) 2H(4)" mono_mass="34.063117">
+        <umod:element number="2" symbol="13C"/>
+        <umod:element number="4" symbol="2H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-17 16-57-01" date_time_posted="2012-12-24 15:50:10" full_name="Crotonylation" group_of_poster="guest" title="Crotonyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="68.0740" composition="C(4) H(4) O" mono_mass="68.026215">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-19 16-11-05" date_time_posted="2004-04-20 07:07:29" full_name="DiMethyl-CHD2" group_of_poster="guest" title="Dimethyl:2H[4]" username_of_poster="PhilipHsu">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Protein N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="32.0778" composition="2H(4) C(2)" mono_mass="32.056407">
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="2" symbol="C"/>
+      </umod:delta>
+      <umod:alt_name>reductive amination</umod:alt_name>
+      <umod:xref>
+        <umod:text>Anal Chem 2003. 75, 6843</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14670044</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Jue-Liang Hsu, Sheng-Yu Huang, and Shu-Hui Chen. Stable-Isotope based Multiplex Labeling Coupled with LC-MS/MS, HUPO 3rd ANNUAL WORLD CONGRESS, Bejing (China) 2004</umod:text>
+        <umod:source>Book</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-19 16-11-57" date_time_posted="2006-05-08 22:03:41" full_name="DiMethyl-C13HD2" group_of_poster="guest" title="Dimethyl:2H[4]13C[2]" username_of_poster="oded">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="34.0631" composition="13C(2) 2H(4)" mono_mass="34.063117">
+        <umod:element number="2" symbol="13C"/>
+        <umod:element number="4" symbol="2H"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>16335955</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>J Proteome Res. 2005 Nov-Dec;4(6):2099-108</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-19 17-13-31" date_time_posted="2015-06-10 17-12-59" full_name="Dimethyl:2H[6]" group_of_poster="guest" title="Dimethyl:2H[6]" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="34.0901" composition="2H(6) C(2) H(-2)" mono_mass="34.068961">
+        <umod:element number="6" symbol="2H"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="-2" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 12-14-26" date_time_posted="2002-08-19 19:17:11" full_name="Amidation" group_of_poster="guest" title="Amidated" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="true" position="Any C-term" site="C-term" spec_group="2">
+        <umod:misc_notes>MS/MS experiments of mass spectrometric c-ions (MS^3) can be used for protein identification by library searching. T3-sequencing is such a technique (see reference). Search engines must recognize this as a virtual modification.</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein C-term" site="C-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="-0.9848" composition="H N O(-1)" mono_mass="-0.984016">
+        <umod:element number="1" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="-1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Top-Down sequencing c-type fragment ion</umod:alt_name>
+      <umod:xref>
+        <umod:text>AA0088</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0087</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0086</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0085</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0084</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0083</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0082</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0081</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0089</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0090</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0091</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0092</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0093</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0094</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0095</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0096</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0097</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0098</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0099</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0100</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AMID</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14588022</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 12-14-59" date_time_posted="2005-10-11 18:00:01" full_name="Loss of ammonia" group_of_poster="guest" title="Ammonia-loss" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="true" position="Any N-term" site="C" spec_group="3">
+        <umod:misc_notes>Pyro-carbamidomethyl as a delta from Carbamidomethyl-Cys</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="S" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="T" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Anywhere" site="N" spec_group="4">
+        <umod:misc_notes>N-Succinimide</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="-17.0305" composition="H(-3) N(-1)" mono_mass="-17.026549">
+        <umod:element number="-3" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+      </umod:delta>
+      <umod:alt_name>oxobutanoic acid from N term Thr</umod:alt_name>
+      <umod:alt_name>pyruvic acid from N-term ser</umod:alt_name>
+      <umod:xref>
+        <umod:text>AA0127</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>PYRUS</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0129</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>OXOB</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 12-21-37" date_time_posted="2015-06-29 12-21-37" full_name="Dimethyl label light" group_of_poster="guest" title="Dimethyl label" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0532" composition="C(2) H(4)" mono_mass="28.031300">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 12-25-05" date_time_posted="2003-04-30 13:32:37" full_name="ubiquitinylation residue" group_of_poster="guest" title="GlyGly" username_of_poster="gielbert">
+      <umod:specificity classification="Other" hidden="true" position="Anywhere" site="T" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other" hidden="true" position="Anywhere" site="S" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other" hidden="true" position="Anywhere" site="C" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="114.1026" composition="C(4) H(6) N(2) O(2)" mono_mass="114.042927">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+        <umod:element number="2" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>glycineglycine</umod:alt_name>
+      <umod:xref>
+        <umod:text>Grou et al., J Biol Chem. 2008 Mar 22; Epub</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://www.jbc.org/cgi/content/abstract/M800402200v1</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Wang et al., J Cell Biol. 2007 May 21;177(4):613-24</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://www.ncbi.nlm.nih.gov/pubmed/17502423</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12872131</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>The Ubiquitin System for Protein Modification and Degradation</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.nottingham.ac.uk/biochemcourses/students/ub/ubindex.html</umod:url>
+      </umod:xref>
+      <umod:misc_notes>The two glycine residues left on ubiquitinylated lysine after tryptic digestion</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 12-29-16" date_time_posted="2002-08-19 19:17:11" full_name="Methylation" group_of_poster="guest" title="Methyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="T" spec_group="14">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="S" spec_group="13">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="N-term" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="E" spec_group="12">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="D" spec_group="12">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Multiple" hidden="true" position="Any C-term" site="C-term" spec_group="11">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="L" spec_group="9">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="I" spec_group="8">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="R" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Any N-term" site="N-term" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="Q" spec_group="6">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="N" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="H" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="14.0266" composition="C H(2)" mono_mass="14.015650">
+        <umod:element number="1" symbol="C"/>
+        <umod:element number="2" symbol="H"/>
+      </umod:delta>
+      <umod:alt_name>methyl ester</umod:alt_name>
+      <umod:xref>
+        <umod:text>METH</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0318</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0338</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0064</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0061</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0063</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0065</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0069</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0336</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0305</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0272</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0076</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0071</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0070</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0073</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0234</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0273</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0317</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0337</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0299</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0072</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11875433</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0105</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 13-45-38" date_time_posted="2002-08-19 19:17:11" full_name="O-Sulfonation" group_of_poster="guest" title="Sulfo" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="S" spec_group="1">
+        <umod:NeutralLoss avge_mass="80.0632" composition="O(3) S" flag="false" mono_mass="79.956815">
+          <umod:element number="3" symbol="O"/>
+          <umod:element number="1" symbol="S"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="T" spec_group="1">
+        <umod:NeutralLoss avge_mass="80.0632" composition="O(3) S" flag="false" mono_mass="79.956815">
+          <umod:element number="3" symbol="O"/>
+          <umod:element number="1" symbol="S"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="Y" spec_group="1">
+        <umod:NeutralLoss avge_mass="80.0632" composition="O(3) S" flag="false" mono_mass="79.956815">
+          <umod:element number="3" symbol="O"/>
+          <umod:element number="1" symbol="S"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes>Because the modification is quantitatively lost on CID, site assigment is not possible when there is a choice of sites</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="C" spec_group="2">
+        <umod:misc_notes>Sulfitolysis</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="80.0632" composition="O(3) S" mono_mass="79.956815">
+        <umod:element number="3" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>AA0172</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14752058</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0362</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Medzihradszky et al., Mol. Cell. Proteomics 2004, 3, 429-440</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>SULF</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0171</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0361</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 13-48-33" date_time_posted="2008-12-04 13:50:02" full_name="mTRAQ light" group_of_poster="guest" title="mTRAQ" username_of_poster="unimod">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="Y" spec_group="3">
+        <umod:misc_notes>Low abundance</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="H" spec_group="4">
+        <umod:misc_notes>Very low abundance</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="S" spec_group="5">
+        <umod:misc_notes>Very low abundance</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="T" spec_group="6">
+        <umod:misc_notes>Very low abundance</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="140.1830" composition="C(7) H(12) N(2) O" mono_mass="140.094963">
+        <umod:element number="7" symbol="C"/>
+        <umod:element number="12" symbol="H"/>
+        <umod:element number="2" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Applied Biosystems mTRAQ(TM) reagent</umod:alt_name>
+      <umod:xref>
+        <umod:text>Applied Biosystems mTRAQ(TM) Reagents</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www3.appliedbiosystems.com/cms/groups/psm_support/documents/generaldocuments/cms_054141.pdf</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 13-49-46" date_time_posted="2015-06-12 15-53-05" full_name="+ formaldehyde (Schiff base)" group_of_poster="guest" title="formaldehyde adduct" username_of_poster="guest">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="R" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="H" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Protein N-term" site="N-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="30.0260" composition="C H(2) O" mono_mass="30.010565">
+        <umod:element number="1" symbol="C"/>
+        <umod:element number="2" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 13-50-54" date_time_posted="2015-06-12 15-58-10" full_name="+ formaldehyde (imine)" group_of_poster="guest" title="formaldehyde adduct imine" username_of_poster="guest">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="H" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Protein N-term" site="N-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="12.0107" composition="C" mono_mass="12.000000">
+        <umod:element number="1" symbol="C"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 14-08-42" date_time_posted="2002-08-19 19:17:11" full_name="S-pyridylethylation" group_of_poster="guest" title="Pyridylethyl" username_of_poster="unimod">
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="105.1372" composition="C(7) H(7) N" mono_mass="105.057849">
+        <umod:element number="7" symbol="C"/>
+        <umod:element number="7" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>11760118</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 15-51-11" date_time_posted="2015-06-15 09-54-34" full_name="+1 modification on R to evaluate 13C peak picking" group_of_poster="guest" title="13C_peak_picking" username_of_poster="guest">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="0.9927" composition="13C C(-1)" mono_mass="1.003355">
+        <umod:element number="1" symbol="13C"/>
+        <umod:element number="-1" symbol="C"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 15-51-33" date_time_posted="2015-06-10 17-58-19" full_name="+1 modification on K-TMT to evaluate 13C peak picking" group_of_poster="guest" title="13C_TMT_peak_picking" username_of_poster="guest">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="K" spec_group="0">
+        <umod:NeutralLoss avge_mass="-0.9927" composition="13C(-1) C" flag="false" mono_mass="-1.003355">
+          <umod:element number="-1" symbol="13C"/>
+          <umod:element number="1" symbol="C"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="230.2561" composition="13C(5) 15N C(7) H(20) N O(2)" mono_mass="230.166287">
+        <umod:element number="5" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="7" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 16-02-43" date_time_posted="2012-02-15 12:05:48" full_name="Accurate mass for DiLeu 116 isobaric tag" group_of_poster="guest" title="DiLeu4plex" username_of_poster="unimod">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="Y" spec_group="3">
+        <umod:misc_notes>Low abundance</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="145.2229" composition="18O 2H(2) C(8) H(13) N" mono_mass="145.132163">
+        <umod:element number="1" symbol="18O"/>
+        <umod:element number="2" symbol="2H"/>
+        <umod:element number="8" symbol="C"/>
+        <umod:element number="13" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+      </umod:delta>
+      <umod:alt_name>Representative, nominal mass for all four tags</umod:alt_name>
+      <umod:xref>
+        <umod:text>journal</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1021/ac902778d</umod:url>
+      </umod:xref>
+      <umod:misc_notes>Different channels have the same nominal mass but slightly different exact masses.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-06-29 16-04-47" date_time_posted="2002-08-19 19:17:11" full_name="Acrylamide adduct" group_of_poster="guest" title="Propionamide" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Anywhere" site="K" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="71.0779" composition="C(3) H(5) N O" mono_mass="71.037114">
+        <umod:element number="3" symbol="C"/>
+        <umod:element number="5" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>text here</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1016/j.aca.2010.10.042</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-07-01 07-49-08" date_time_posted="2002-08-19 19:17:11" full_name="di-Methylation" group_of_poster="guest" title="Dimethyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="N" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="true" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="R" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="P" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0532" composition="C(2) H(4)" mono_mass="28.031300">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>DIMETH</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0311</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0068</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14570711</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0067</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12964758</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0075</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0066</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-07-15 11-12-17" date_time_posted="2015-06-10 18-02-49" full_name="N-Butyl-Pro-Tag" group_of_poster="guest" title="NIW233-26" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="T" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="296.3700" composition="13C C(14) H(25) N(3) O(3)" mono_mass="296.192947">
+        <umod:element number="1" symbol="13C"/>
+        <umod:element number="14" symbol="C"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-07-15 11-12-56" date_time_posted="2015-06-10 18-01-09" full_name="Isopropyl-Pro-Tag" group_of_poster="guest" title="NIW240A" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="T" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="282.3434" composition="13C C(13) H(23) N(3) O(3)" mono_mass="282.177297">
+        <umod:element number="1" symbol="13C"/>
+        <umod:element number="13" symbol="C"/>
+        <umod:element number="23" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="true" date_time_modified="2015-07-15 11-13-26" date_time_posted="2015-06-10 18-04-56" full_name="Neopentyl-Pro-Tag" group_of_poster="guest" title="NIW241" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="T" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="310.3965" composition="13C C(15) H(27) N(3) O(3)" mono_mass="310.208597">
+        <umod:element number="1" symbol="13C"/>
+        <umod:element number="15" symbol="C"/>
+        <umod:element number="27" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-10-19 17-38-41" date_time_posted="2015-06-10 17-10-05" full_name="Dimethyl:2H[2]" group_of_poster="guest" title="Dimethyl:2H[2]" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="30.0655" composition="2H(2) C(2) H(2)" mono_mass="30.043854">
+        <umod:element number="2" symbol="2H"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="2" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-10-19 17-40-04" date_time_posted="2005-06-30 18:21:32" full_name="Dimethylated arginine" group_of_poster="guest" title="Dimethyl:2H[6]13C[2]" username_of_poster="sams">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="36.0754" composition="13C(2) 2H(6) H(-2)" mono_mass="36.075670">
+        <umod:element number="2" symbol="13C"/>
+        <umod:element number="6" symbol="2H"/>
+        <umod:element number="-2" symbol="H"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Triplex protein quantification based on stable isotope labeling by peptide dimethylation applied to cell and tissue lysates. Boersema PJ, Aye TT, van Veen TA, Heck AJ, Mohammed S. Proteomics. 2008 Nov;8(22):4624-32</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15782174</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-11-04 15-38-26" date_time_posted="2002-10-16 16:52:38" full_name="Propionate labeling reagent light form (N-term &amp; K)" group_of_poster="guest" title="Propionyl" username_of_poster="penner">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="T" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Multiple" hidden="false" position="Protein N-term" site="N-term" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="56.0633" composition="C(3) H(4) O" mono_mass="56.026215">
+        <umod:element number="3" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12175151</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11999733</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11857757</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Global internal standard technology for comparative proteomics. Chakraborty, Asish; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Journal of Chromatography, A (2002), 949(1-2), 173-184.</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-11-04 17-56-43" date_time_posted="2002-08-19 19:17:11" full_name="Acetylation" group_of_poster="guest" title="Acetyl" username_of_poster="unimod">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="T" spec_group="6">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Protein N-term" site="N-term" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="S" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="C" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Multiple" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>GIST acetyl light</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Multiple" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes>PT and GIST acetyl light</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="7">
+        <umod:misc_notes>O-acetyl</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="H" spec_group="8">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="42.0367" composition="C(2) H(2) O" mono_mass="42.010565">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="2" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>14730666</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15350136</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0055</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>IonSource acetylation tutorial</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.ionsource.com/Card/acetylation/acetylation.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Chemical Reagents for Protein Modification 3rd edition, pp 215-221, Roger L. Lundblad, CRC Press, New York, N.Y., 2005</umod:text>
+        <umod:source>Book</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11999733</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0043</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0044</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0354</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0045</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0056</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0046</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0051</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0052</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0364</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0041</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0049</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0048</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0047</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12175151</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11857757</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0042</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0050</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0053</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0054</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>ACET</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>PNAS 2006 103: 18574-18579</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1073/pnas.0608995103</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2015-12-01 18-19-56" date_time_posted="2015-12-01 15-31-53" full_name="Propionyl_plus_Methyl" group_of_poster="guest" title="Propionyl_plus_Methyl" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="70.0898" composition="C(4) H(6) O" mono_mass="70.041865">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-03-15 13-30-52" date_time_posted="2004-02-28 19:54:10" full_name="13C(6) Silac label II" group_of_poster="guest" title="SILAC:KR+6" username_of_poster="hs">
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="I" spec_group="5">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="L" spec_group="3">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="R" spec_group="2">
+        <umod:misc_notes>Used in SILAC experiment</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="5.9559" composition="13C(6) C(-6)" mono_mass="6.020129">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="-6" symbol="C"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Silac introduction</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12716131</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-05-23 08-45-56" date_time_posted="2016-05-23 08-45-56" full_name="cysteine/serine/tyrosine covalently reacted with afatinib" group_of_poster="guest" title="C/S/Y+afatinib" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="485.9384" composition="C(24) Cl F H(25) N(5) O(3)" mono_mass="485.162996">
+        <umod:element number="24" symbol="C"/>
+        <umod:element number="1" symbol="Cl"/>
+        <umod:element number="1" symbol="F"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-05-23 08-46-44" date_time_posted="2016-05-23 08-46-44" full_name="cysteine/serine/tyrosine covalently reacted with CC292" group_of_poster="guest" title="C/S/Y+CC292" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="423.4402" composition="C(22) F H(22) N(5) O(3)" mono_mass="423.170668">
+        <umod:element number="22" symbol="C"/>
+        <umod:element number="1" symbol="F"/>
+        <umod:element number="22" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-05-23 08-47-54" date_time_posted="2016-05-23 08-47-54" full_name="cysteine/serine/tyrosine covalently reacted with oxozeaenol" group_of_poster="guest" title="C/S/Y+oxozeaenol" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="362.3738" composition="C(19) H(22) O(7)" mono_mass="362.136553">
+        <umod:element number="19" symbol="C"/>
+        <umod:element number="22" symbol="H"/>
+        <umod:element number="7" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-08-22 16-16-48" date_time_posted="2016-08-22 16-16-48" full_name="SILAC argenine to Proline conversion" group_of_poster="guest" title="SILAC Arg-->Pro" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="P" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="80.0169" composition="13C(5) 15N" mono_mass="80.016883">
+        <umod:element number="5" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-09-14 18-01-44" date_time_posted="2015-12-03 15-28-08" full_name="Faropenem fragment" group_of_poster="guest" title="Faropenem fragment" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="L" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="87.0972" composition="C(4) H(7) O(2)" mono_mass="87.044605">
+        <umod:element number="4" symbol="C"/>
+        <umod:element number="7" symbol="H"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Dhar et al. 2015; doi:10.1128/AAC.03461-14</umod:text>
+        <umod:source>Other</umod:source>
+      </umod:xref>
+      <umod:misc_notes>b-Lactam project (project code: 51703); covalent aduct of Faropenem</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-09-14 18-15-58" date_time_posted="2016-09-14 17-59-49" full_name="Faropenem full length" group_of_poster="guest" title="Faropenem full length" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="true" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="true" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="true" position="Anywhere" site="L" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="285.3162" composition="C(12) H(15) N O(5) S" mono_mass="285.067093">
+        <umod:element number="12" symbol="C"/>
+        <umod:element number="15" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="5" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Dhar et al. 2015; doi:10.1128/AAC.03461-14</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2016-09-19 18-01-26" date_time_posted="2016-09-14 17-54-35" full_name="Meropenem" group_of_poster="guest" title="Meropenem" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="L" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="383.4625" composition="C(17) H(25) N(3) O(5) S" mono_mass="383.151492">
+        <umod:element number="17" symbol="C"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="5" symbol="O"/>
+        <umod:element number="1" symbol="S"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Antimicrob. Agents Chemother.-2015-Dhar-1308-19 suppl</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-02-06 10-20-34" date_time_posted="2003-05-01 13:28:36" full_name="Formylation" group_of_poster="guest" title="Formyl" username_of_poster="pnacman">
+      <umod:specificity classification="Post-translational" hidden="false" position="Protein N-term" site="N-term" spec_group="5">
+        <umod:misc_notes>A protein in which either the N-terminal N-formylmethionine has not been processed by the methionyl-tRNA formyltransferase or which is posttranslationally modified by the attachment of at least one formyl group.</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="T" spec_group="4">
+        <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="S" spec_group="3">
+        <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0101" composition="C O" mono_mass="27.994915">
+        <umod:element number="1" symbol="C"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>AA0211</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15799070</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0021</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>FORM</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0384</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0057</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0384</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-02-06 13-32-26" date_time_posted="2002-08-19 19:17:11" full_name="Iodoacetamide derivative" group_of_poster="guest" title="Carbamidomethyl" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="S" spec_group="7">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="E" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="D" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="H" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="T" spec_group="8">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="N" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="10">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="57.0513" composition="C(2) H(3) N O" mono_mass="57.021464">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="3" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Carboxyamidomethylation</umod:alt_name>
+      <umod:xref>
+        <umod:text>Creasy, D. M., Cottrell, J. S., Proteomics 2 1426-34 (2002)</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11510821</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Boja, E. S., Fales, H. M., Anal. Chem. 73 3576-82 (2001)</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12422359</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-05-14 21-02-38" date_time_posted="2017-05-14 21-02-38" full_name="cysteine/serine/tyrosine covalently reacted with afatinib (+H)" group_of_poster="guest" title="C/S/Y+afatinib (+H)" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="486.9463" composition="C(24) Cl F H(26) N(5) O(3)" mono_mass="486.170821">
+        <umod:element number="24" symbol="C"/>
+        <umod:element number="1" symbol="Cl"/>
+        <umod:element number="1" symbol="F"/>
+        <umod:element number="26" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-05-14 21-22-32" date_time_posted="2017-05-14 21-22-01" full_name="cysteine/serine/tyrosine covalently reacted with afatinib (-1H)" group_of_poster="guest" title="C/S/Y+afatinib (-1H)" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="484.9305" composition="C(24) Cl F H(24) N(5) O(3)" mono_mass="484.155171">
+        <umod:element number="24" symbol="C"/>
+        <umod:element number="1" symbol="Cl"/>
+        <umod:element number="1" symbol="F"/>
+        <umod:element number="24" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-10-05 07-57-27" date_time_posted="2017-10-05 07-52-48" full_name="S2ME:K+32" group_of_poster="guest" title="S2ME:K+32" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="32.0778" composition="2H(4) C(2)" mono_mass="32.056407">
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="2" symbol="C"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-10-05 07-57-38" date_time_posted="2017-10-05 07-57-09" full_name="S2ME:K+40" group_of_poster="guest" title="S2ME:K+40" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="40.0206" composition="13C(6) 15N(2) 2H(4) C(-4) N(-2)" mono_mass="40.070606">
+        <umod:element number="6" symbol="13C"/>
+        <umod:element number="2" symbol="15N"/>
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="-4" symbol="C"/>
+        <umod:element number="-2" symbol="N"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-10-05 07-58-04" date_time_posted="2017-10-05 07-54-39" full_name="S2ME:nt+32" group_of_poster="guest" title="S2ME:nt+32" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Any N-term" site="N-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="32.0778" composition="2H(4) C(2)" mono_mass="32.056407">
+        <umod:element number="4" symbol="2H"/>
+        <umod:element number="2" symbol="C"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-11-30 13-13-33" date_time_posted="2017-11-29 14-37-09" full_name="Lys di-methylation" group_of_poster="guest" title="Lys di-methylation" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="28.0532" composition="C(2) H(4)" mono_mass="28.031300">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="4" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2017-11-30 13-13-46" date_time_posted="2017-11-29 14-35-53" full_name="Lys mono-methylation" group_of_poster="guest" title="Lys mono-methylation" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="14.0266" composition="C H(2)" mono_mass="14.015650">
+        <umod:element number="1" symbol="C"/>
+        <umod:element number="2" symbol="H"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-01-22 17-43-26" date_time_posted="2018-01-22 16-58-42" full_name="Covalent_Panobinostat" group_of_poster="guest" title="Covalent_Panobinostat" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="M" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="350.4342" composition="C(21) H(24) N(3) O(2)" mono_mass="350.186852">
+        <umod:element number="21" symbol="C"/>
+        <umod:element number="24" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-01-22 17-43-50" date_time_posted="2018-01-22 16-59-40" full_name="Covalent_Panobinostat_-1" group_of_poster="guest" title="Covalent_Panobinostat_-1" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="M" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="349.4262" composition="C(21) H(23) N(3) O(2)" mono_mass="349.179027">
+        <umod:element number="21" symbol="C"/>
+        <umod:element number="23" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-02-01 17-18-51" date_time_posted="2002-08-19 19:17:11" full_name="Oxidation" group_of_poster="guest" title="Oxidation(M)" username_of_poster="unimod">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="9">
+        <umod:misc_notes>Cysteine sulfenic acid</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="15.9994" composition="O" mono_mass="15.994915">
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>HYDR</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0322</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11212008</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11120890</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>DOPA</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>CSEA</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14661084</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0026</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15569593</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0205</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0215</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Lagerwerf FM, van de Weert M, Heerma W, Haverkamp J, Rapid Commun Mass Spectrom. 1996;10(15):1905-10</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0029</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0030</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>9004526</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0028</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11461766</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0027</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0235</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0146</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14661085</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12781462</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>2057999</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2008-02-15 05:37:07" date_time_posted="2002-08-19 19:17:11" full_name="Oxidation or Hydroxylation" group_of_poster="admin" record_id="35" title="Oxidation" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="W" spec_group="10"/>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="H" spec_group="10"/>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="C" spec_group="9">
+        <umod:misc_notes>Cysteine sulfenic acid</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="false" position="Anywhere" site="M" spec_group="8">
+        <umod:NeutralLoss avge_mass="0.0000" composition="0" flag="false" mono_mass="0.000000"/>
+        <umod:NeutralLoss avge_mass="64.1069" composition="H(4) C O S" flag="false" mono_mass="63.998285">
+          <umod:element number="4" symbol="H"/>
+          <umod:element number="1" symbol="C"/>
+          <umod:element number="1" symbol="O"/>
+          <umod:element number="1" symbol="S"/>
+        </umod:NeutralLoss>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="R" spec_group="7"/>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="Y" spec_group="6"/>
+      <umod:specificity classification="Artefact" hidden="true" position="Anywhere" site="F" spec_group="5"/>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="P" spec_group="4">
+        <umod:misc_notes>Proline oxidation to glutamic semialdehyde</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="N" spec_group="3"/>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="K" spec_group="2"/>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="D" spec_group="1"/>
+      <umod:specificity classification="Pre-translational" hidden="true" position="Any C-term" site="G" spec_group="11">
+        <umod:misc_notes>Hydroxyglycine derivative in amidation pathway</umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="15.9994" composition="O" mono_mass="15.994915">
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>HYDR</umod:text>
+        <umod:source>FindMod</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0322</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11212008</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11120890</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>DOPA</umod:text>
+        <umod:source>FindMod</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>CSEA</umod:text>
+        <umod:source>FindMod</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14661084</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0026</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15569593</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0205</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0215</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Lagerwerf FM, van de Weert M, Heerma W, Haverkamp J, Rapid Commun Mass Spectrom. 1996;10(15):1905-10</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0029</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0030</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>9004526</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0028</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11461766</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0027</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0235</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0146</umod:text>
+        <umod:source>RESID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>14661085</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12781462</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>2057999</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+        <umod:url></umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-02-01 17-26-52" date_time_posted="2018-02-01 17-26-52" full_name="Oxidation(C)" group_of_poster="guest" title="Oxidation(C)" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="15.9994" composition="O" mono_mass="15.994915">
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-02-21 10-23-31" date_time_posted="2018-02-21 10-23-31" full_name="Phosphorylation of S/T/Y/H/K/R/D/E/C" group_of_poster="guest" title="Phospho-S/T/Y/H/K/R/D/E/C" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="T" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="H" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="D" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="E" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="79.9799" composition="H O(3) P" mono_mass="79.966331">
+        <umod:element number="1" symbol="H"/>
+        <umod:element number="3" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-02-21 10-34-51" date_time_posted="2018-02-21 10-34-51" full_name="Phosphorylation of S/T/Y" group_of_poster="guest" title="Phospho-S/T/Y" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="T" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="79.9799" composition="H O(3) P" mono_mass="79.966331">
+        <umod:element number="1" symbol="H"/>
+        <umod:element number="3" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-02-22 16-09-30" date_time_posted="2018-02-21 08-40-20" full_name="PAB" group_of_poster="guest" title="PAB" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="M" spec_group="0">
+        <umod:NeutralLoss avge_mass="165.2322" composition="C(9) H(9) O S" flag="false" mono_mass="165.037411">
+          <umod:element number="9" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="1" symbol="O"/>
+          <umod:element number="1" symbol="S"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="118.1326" composition="C(8) H(6) O" mono_mass="118.041865">
+        <umod:element number="8" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-04-16 16-43-17" date_time_posted="2018-04-16 16-43-17" full_name="Met to AHA" group_of_poster="guest" title="Met to AHA" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="M" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="-3.0635" composition="C(-1) H(-1) N(3) S(-1)" mono_mass="-2.970674">
+        <umod:element number="-1" symbol="C"/>
+        <umod:element number="-1" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="-1" symbol="S"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-04-16 17-44-16" date_time_posted="2015-06-10 17-50-31" full_name="AHA" group_of_poster="guest" title="AHA" username_of_poster="guest">
+      <umod:specificity classification="-" hidden="false" position="Anywhere" site="M" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="-5.0794" composition="C(-1) H(-3) N(3) S(-1)" mono_mass="-4.986324">
+        <umod:element number="-1" symbol="C"/>
+        <umod:element number="-3" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="-1" symbol="S"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-04-19 12-41-06" date_time_posted="2007-03-02 09:29:50" full_name="Native Tandem Mass Tag®" group_of_poster="guest" title="TMT" username_of_poster="JUergen.schaefer">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Protein N-term" site="N-term" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="H" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="S" spec_group="5">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Isotopic label" hidden="true" position="Anywhere" site="T" spec_group="6">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="224.2994" composition="C(12) H(20) N(2) O(2)" mono_mass="224.152478">
+        <umod:element number="12" symbol="C"/>
+        <umod:element number="20" symbol="H"/>
+        <umod:element number="2" symbol="N"/>
+        <umod:element number="2" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>TMT0</umod:alt_name>
+      <umod:xref>
+        <umod:text>Juergen.Schaefer@Proteomics.com</umod:text>
+        <umod:source>Other</umod:source>
+      </umod:xref>
+      <umod:misc_notes>This modification describes the \"native\" TMT Reagent without isotopic label.</umod:misc_notes>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-05-07 13-26-55" date_time_posted="2018-05-04 15-41-52" full_name="potassium aducts" group_of_poster="guest" title="potassium" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any C-term" site="C-term" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="39.0983" composition="K" mono_mass="38.963707">
+        <umod:element number="1" symbol="K"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-07-23 15-55-35" date_time_posted="2016-04-13 11-00-13" full_name="Gly-Gly+ TMT6" group_of_poster="guest" title="Gly-Gly+ TMT6" username_of_poster="guest">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="343.3661" composition="13C(4) 15N C(12) H(26) N(3) O(4)" mono_mass="343.205860">
+        <umod:element number="4" symbol="13C"/>
+        <umod:element number="1" symbol="15N"/>
+        <umod:element number="12" symbol="C"/>
+        <umod:element number="26" symbol="H"/>
+        <umod:element number="3" symbol="N"/>
+        <umod:element number="4" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2018-08-10 15-54-30" date_time_posted="2018-08-10 15-54-30" full_name="Carbamidomethylation of all relevant sites" group_of_poster="guest" title="Carbamidomethylation of all relevant sites" username_of_poster="unimod">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="E" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="D" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="H" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="T" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="N" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="57.0513" composition="C(2) H(3) N O" mono_mass="57.021464">
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="3" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>Carboxyamidomethylation</umod:alt_name>
+      <umod:xref>
+        <umod:text>Creasy, D. M., Cottrell, J. S., Proteomics 2 1426-34 (2002)</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>11510821</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Boja, E. S., Fales, H. M., Anal. Chem. 73 3576-82 (2001)</umod:text>
+        <umod:source>Journal</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>12422359</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2019-04-10 16-15-57" date_time_posted="2019-04-10 16-15-57" full_name="TMTpro" group_of_poster="guest" title="TMTpro" username_of_poster="guest">
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Any N-term" site="N-term" spec_group="2">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Chemical derivative" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="304.3127" composition="13C(7) 15N(2) C(8) H(25) N O(3)" mono_mass="304.207146">
+        <umod:element number="7" symbol="13C"/>
+        <umod:element number="2" symbol="15N"/>
+        <umod:element number="8" symbol="C"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="1" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2019-04-29 12-53-29" date_time_posted="2019-04-29 10-10-19" full_name="SILAC K+8 TMTpro modification" group_of_poster="guest" title="SILAC K+8 TMTpro" username_of_poster="guest">
+      <umod:specificity classification="Isotopic label" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="312.2554" composition="13C(13) 15N(4) C(2) H(25) N(-1) O(3)" mono_mass="312.221344">
+        <umod:element number="13" symbol="13C"/>
+        <umod:element number="4" symbol="15N"/>
+        <umod:element number="2" symbol="C"/>
+        <umod:element number="25" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2019-06-11 15-29-58" date_time_posted="2006-11-09 11:35:42" full_name="Asn->Asp substitution" group_of_poster="guest" title="Asn->Asp" username_of_poster="unimod">
+      <umod:specificity classification="AA substitution" hidden="true" position="Anywhere" site="N" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="0.9848" composition="H(-1) N(-1) O" mono_mass="0.984016">
+        <umod:element number="-1" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2019-06-11 17-25-54" date_time_posted="2002-08-19 19:17:11" full_name="Deamidation" group_of_poster="guest" title="Deamidated" username_of_poster="unimod">
+      <umod:specificity classification="Artefact" hidden="false" position="Anywhere" site="Q" spec_group="4">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="R" spec_group="2">
+        <umod:misc_notes>Protein which is post-translationally modified by the de-imination of one or more arginine residues; Peptidylarginine deiminase (PAD) converts protein bound to citrulline</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Artefact" hidden="false" position="Anywhere" site="N" spec_group="1">
+        <umod:misc_notes>Convertion of glycosylated asparagine residues upon deglycosylation with PNGase F in H2O</umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="true" position="Protein N-term" site="F" spec_group="3">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="0.9848" composition="H(-1) N(-1) O" mono_mass="0.984016">
+        <umod:element number="-1" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+      <umod:alt_name>phenyllactyl from N-term Phe</umod:alt_name>
+      <umod:alt_name>Citrullination</umod:alt_name>
+      <umod:xref>
+        <umod:text>FLAC</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0128</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>CITR</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>IonSource tutorial</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://www.ionsource.com/Card/Deamidation/deamidation.htm</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0214</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>6838602</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15700232</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>DEAM</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2019-12-29 19-09-15" date_time_posted="2019-12-29 19-09-15" full_name="SILAC K+8 Itraq combined modification" group_of_poster="guest" title="SILAC K+8 ITRAQ" username_of_poster="guest">
+      <umod:specificity classification="Post-translational" hidden="true" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="152.0971" composition="13C(9) 15N(3) C(-2) H(12) N(-1) O" mono_mass="152.116261">
+        <umod:element number="9" symbol="13C"/>
+        <umod:element number="3" symbol="15N"/>
+        <umod:element number="-2" symbol="C"/>
+        <umod:element number="12" symbol="H"/>
+        <umod:element number="-1" symbol="N"/>
+        <umod:element number="1" symbol="O"/>
+      </umod:delta>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2020-05-28 17-05-13" date_time_posted="2012-09-19 14:16:08" full_name="phosphate-ribosylation" group_of_poster="guest" title="phosphoRibosyl" username_of_poster="BThomas">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="E" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="D" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="H" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="T" spec_group="0">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="212.0945" composition="C(5) H(9) O(7) P" mono_mass="212.008590">
+        <umod:element number="5" symbol="C"/>
+        <umod:element number="9" symbol="H"/>
+        <umod:element number="7" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Reanalysis of phosphoproteomics data uncovers ADP-ribosylation sites</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://www.nature.com/nmeth/journal/v9/n8/full/nmeth.2106.html</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2020-05-28 17-07-01" date_time_posted="2004-05-27 20:53:37" full_name="ADP Ribose addition" group_of_poster="guest" title="ADP-Ribosyl" username_of_poster="ionjockey">
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="E" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="S" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="N" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="R" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="D" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="H" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="T" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="Y" spec_group="1">
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" mono_mass="541.061110">
+        <umod:element number="15" symbol="C"/>
+        <umod:element number="21" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="13" symbol="O"/>
+        <umod:element number="2" symbol="P"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>P-T modification of Lysine</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1093/nar/gkq463</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>ADP</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0169</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0237</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15842200</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0295</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Structure</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://betelgeuse.u-strasbg.fr/DocPARP/DocPARG/images/Structure-pADPR.jpg</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0231</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0168</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Mapping PARP-1 auto-ADP-ribosylation sites by liquid chromatography-tandem mass spectrometry</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1021/pr301219h</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Identification of the ADP-ribosylation sites in the PARP-1 automodification domain: analysis and implications</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1021/ja906135d</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2020-06-03 16-02-38" date_time_posted="2020-06-03 16-02-38" full_name="ADP Ribose addition incl. Neutral Losses and Ignore Masses" group_of_poster="guest" title="ADP-Ribosyl-NL" username_of_poster="ionjockey">
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="K" spec_group="1">
+        <umod:NeutralLoss avge_mass="347.2212" composition="C(10) H(14) N(5) O(7) P" flag="false" mono_mass="347.063085">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="14" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="249.2260" composition="C(10) H(11) N(5) O(3)" flag="false" mono_mass="249.086189">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="11" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="3" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="135.1267" composition="C(5) H(5) N(5)" flag="true" mono_mass="135.054495">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="5" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="153.1420" composition="C(5) H(7) N(5) O" flag="true" mono_mass="153.065060">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="7" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="1" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="171.1573" composition="C(5) H(9) N(5) O(2)" flag="true" mono_mass="171.075625">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="2" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="267.2413" composition="C(10) H(13) N(5) O(4)" flag="true" mono_mass="267.096754">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="13" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="4" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="365.2365" composition="C(10) H(16) N(5) O(8) P" flag="true" mono_mass="365.073650">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="16" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="8" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="427.2011" composition="C(10) H(15) N(5) O(10) P(2)" flag="true" mono_mass="427.029416">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="15" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="10" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="445.2164" composition="C(10) H(17) N(5) O(11) P(2)" flag="true" mono_mass="445.039981">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="17" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="11" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="463.2317" composition="C(10) H(19) N(5) O(12) P(2)" flag="true" mono_mass="463.050545">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="19" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="12" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" flag="true" mono_mass="541.061110">
+          <umod:element number="15" symbol="C"/>
+          <umod:element number="21" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="13" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="H" spec_group="1">
+        <umod:NeutralLoss avge_mass="347.2212" composition="C(10) H(14) N(5) O(7) P" flag="false" mono_mass="347.063085">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="14" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="249.2260" composition="C(10) H(11) N(5) O(3)" flag="false" mono_mass="249.086189">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="11" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="3" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="135.1267" composition="C(5) H(5) N(5)" flag="true" mono_mass="135.054495">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="5" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="153.1420" composition="C(5) H(7) N(5) O" flag="true" mono_mass="153.065060">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="7" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="1" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="171.1573" composition="C(5) H(9) N(5) O(2)" flag="true" mono_mass="171.075625">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="2" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="267.2413" composition="C(10) H(13) N(5) O(4)" flag="true" mono_mass="267.096754">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="13" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="4" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="365.2365" composition="C(10) H(16) N(5) O(8) P" flag="true" mono_mass="365.073650">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="16" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="8" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="427.2011" composition="C(10) H(15) N(5) O(10) P(2)" flag="true" mono_mass="427.029416">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="15" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="10" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="445.2164" composition="C(10) H(17) N(5) O(11) P(2)" flag="true" mono_mass="445.039981">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="17" symbol="H"/>
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+          <umod:element number="11" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="463.2317" composition="C(10) H(19) N(5) O(12) P(2)" flag="true" mono_mass="463.050545">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="19" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="12" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" flag="true" mono_mass="541.061110">
+          <umod:element number="15" symbol="C"/>
+          <umod:element number="21" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="13" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="T" spec_group="1">
+        <umod:NeutralLoss avge_mass="347.2212" composition="C(10) H(14) N(5) O(7) P" flag="false" mono_mass="347.063085">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="14" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="249.2260" composition="C(10) H(11) N(5) O(3)" flag="false" mono_mass="249.086189">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="11" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="3" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="135.1267" composition="C(5) H(5) N(5)" flag="true" mono_mass="135.054495">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="5" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="153.1420" composition="C(5) H(7) N(5) O" flag="true" mono_mass="153.065060">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="7" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="1" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="171.1573" composition="C(5) H(9) N(5) O(2)" flag="true" mono_mass="171.075625">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="2" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="267.2413" composition="C(10) H(13) N(5) O(4)" flag="true" mono_mass="267.096754">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="13" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="4" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="365.2365" composition="C(10) H(16) N(5) O(8) P" flag="true" mono_mass="365.073650">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="16" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="8" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="427.2011" composition="C(10) H(15) N(5) O(10) P(2)" flag="true" mono_mass="427.029416">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="15" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="10" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="445.2164" composition="C(10) H(17) N(5) O(11) P(2)" flag="true" mono_mass="445.039981">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="17" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="11" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="463.2317" composition="C(10) H(19) N(5) O(12) P(2)" flag="true" mono_mass="463.050545">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="19" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="12" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" flag="true" mono_mass="541.061110">
+          <umod:element number="15" symbol="C"/>
+          <umod:element number="21" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="13" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Other glycosylation" hidden="false" position="Anywhere" site="C" spec_group="1">
+        <umod:NeutralLoss avge_mass="347.2212" composition="C(10) H(14) N(5) O(7) P" flag="false" mono_mass="347.063085">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="14" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="249.2260" composition="C(10) H(11) N(5) O(3)" flag="false" mono_mass="249.086189">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="11" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="3" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="135.1267" composition="C(5) H(5) N(5)" flag="true" mono_mass="135.054495">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="5" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="153.1420" composition="C(5) H(7) N(5) O" flag="true" mono_mass="153.065060">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="7" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="1" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="171.1573" composition="C(5) H(9) N(5) O(2)" flag="true" mono_mass="171.075625">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="2" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="267.2413" composition="C(10) H(13) N(5) O(4)" flag="true" mono_mass="267.096754">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="13" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="4" symbol="O"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="365.2365" composition="C(10) H(16) N(5) O(8) P" flag="true" mono_mass="365.073650">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="16" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="8" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="427.2011" composition="C(10) H(15) N(5) O(10) P(2)" flag="true" mono_mass="427.029416">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="15" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="10" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="445.2164" composition="C(10) H(17) N(5) O(11) P(2)" flag="true" mono_mass="445.039981">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="17" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="11" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="463.2317" composition="C(10) H(19) N(5) O(12) P(2)" flag="true" mono_mass="463.050545">
+          <umod:element number="10" symbol="C"/>
+          <umod:element number="19" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="12" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" flag="true" mono_mass="541.061110">
+          <umod:element number="15" symbol="C"/>
+          <umod:element number="21" symbol="H"/>
+          <umod:element number="5" symbol="N"/>
+          <umod:element number="13" symbol="O"/>
+          <umod:element number="2" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="541.3005" composition="C(15) H(21) N(5) O(13) P(2)" mono_mass="541.061110">
+        <umod:element number="15" symbol="C"/>
+        <umod:element number="21" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="13" symbol="O"/>
+        <umod:element number="2" symbol="P"/>
+      </umod:delta>
+      <umod:Ignore avge_mass="136.1346" composition="C(5) H(6) N(5)" mono_mass="136.062320">
+        <umod:element number="5" symbol="C"/>
+        <umod:element number="6" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+      </umod:Ignore>
+      <umod:Ignore avge_mass="250.2340" composition="C(10) H(12) N(5) O(3)" mono_mass="250.094014">
+        <umod:element number="10" symbol="C"/>
+        <umod:element number="12" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="3" symbol="O"/>
+      </umod:Ignore>
+      <umod:Ignore avge_mass="348.2292" composition="C(10) H(15) N(5) O(7) P" mono_mass="348.070910">
+        <umod:element number="10" symbol="C"/>
+        <umod:element number="15" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="7" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:Ignore>
+      <umod:Ignore avge_mass="428.2091" composition="C(10) H(16) N(5) O(10) P(2)" mono_mass="428.037241">
+        <umod:element number="10" symbol="C"/>
+        <umod:element number="16" symbol="H"/>
+        <umod:element number="5" symbol="N"/>
+        <umod:element number="10" symbol="O"/>
+        <umod:element number="2" symbol="P"/>
+      </umod:Ignore>
+      <umod:xref>
+        <umod:text>P-T modification of Lysine</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1093/nar/gkq463</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>ADP</umod:text>
+        <umod:source>FindMod</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0169</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0237</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>15842200</umod:text>
+        <umod:source>PubMed PMID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0295</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Structure</umod:text>
+        <umod:source>Misc. URL</umod:source>
+        <umod:url>http://betelgeuse.u-strasbg.fr/DocPARP/DocPARG/images/Structure-pADPR.jpg</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0231</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>AA0168</umod:text>
+        <umod:source>RESID</umod:source>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Mapping PARP-1 auto-ADP-ribosylation sites by liquid chromatography-tandem mass spectrometry</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1021/pr301219h</umod:url>
+      </umod:xref>
+      <umod:xref>
+        <umod:text>Identification of the ADP-ribosylation sites in the PARP-1 automodification domain: analysis and implications</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://dx.doi.org/10.1021/ja906135d</umod:url>
+      </umod:xref>
+    </umod:mod>
+    <umod:mod approved="false" date_time_modified="2020-06-15 16-01-56" date_time_posted="2020-06-15 16-01-56" full_name="phosphate-ribosylation incl neutral losses" group_of_poster="guest" title="phosphoRibosyl incl neutral loss" username_of_poster="BThomas">
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="Y" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="E" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="C" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="D" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="H" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="K" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="R" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="S" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:specificity classification="Post-translational" hidden="false" position="Anywhere" site="T" spec_group="0">
+        <umod:NeutralLoss avge_mass="97.9952" composition="H(3) O(4) P" flag="false" mono_mass="97.976896">
+          <umod:element number="3" symbol="H"/>
+          <umod:element number="4" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:NeutralLoss avge_mass="212.0945" composition="C(5) H(9) O(7) P" flag="false" mono_mass="212.008590">
+          <umod:element number="5" symbol="C"/>
+          <umod:element number="9" symbol="H"/>
+          <umod:element number="7" symbol="O"/>
+          <umod:element number="1" symbol="P"/>
+        </umod:NeutralLoss>
+        <umod:misc_notes></umod:misc_notes>
+      </umod:specificity>
+      <umod:delta avge_mass="212.0945" composition="C(5) H(9) O(7) P" mono_mass="212.008590">
+        <umod:element number="5" symbol="C"/>
+        <umod:element number="9" symbol="H"/>
+        <umod:element number="7" symbol="O"/>
+        <umod:element number="1" symbol="P"/>
+      </umod:delta>
+      <umod:xref>
+        <umod:text>Reanalysis of phosphoproteomics data uncovers ADP-ribosylation sites</umod:text>
+        <umod:source>Journal</umod:source>
+        <umod:url>http://www.nature.com/nmeth/journal/v9/n8/full/nmeth.2106.html</umod:url>
+      </umod:xref>
+    </umod:mod>
+  </umod:modifications>
+
+  <umod:amino_acids>
+    <umod:aa avge_mass="0.0000" full_name="" mono_mass="0.000000" three_letter="" title="-"/>
+    <umod:aa avge_mass="150.0379" full_name="Selenocysteine" mono_mass="150.953633" three_letter="Sel" title="U">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="Se"/>
+    </umod:aa>
+    <umod:aa avge_mass="237.2982" full_name="Pyrrolysine" mono_mass="237.147727" three_letter="Pyr" title="O">
+      <umod:element number="19" symbol="H"/>
+      <umod:element number="12" symbol="C"/>
+      <umod:element number="3" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Leu or Ile" mono_mass="113.084064" three_letter="Xle" title="J">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="71.0779" full_name="Alanine" mono_mass="71.037114" three_letter="Ala" title="A">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="156.1857" full_name="Arginine" mono_mass="156.101111" three_letter="Arg" title="R">
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="4" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="114.1026" full_name="Asparagine" mono_mass="114.042927" three_letter="Asn" title="N">
+      <umod:element number="6" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="115.0874" full_name="Aspartic acid" mono_mass="115.026943" three_letter="Asp" title="D">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="103.1429" full_name="Cysteine" mono_mass="103.009185" three_letter="Cys" title="C">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="S"/>
+    </umod:aa>
+    <umod:aa avge_mass="129.1140" full_name="Glutamic acid" mono_mass="129.042593" three_letter="Glu" title="E">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="128.1292" full_name="Glutamine" mono_mass="128.058578" three_letter="Gln" title="Q">
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="57.0513" full_name="Glycine" mono_mass="57.021464" three_letter="Gly" title="G">
+      <umod:element number="3" symbol="H"/>
+      <umod:element number="2" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="137.1393" full_name="Histidine" mono_mass="137.058912" three_letter="His" title="H">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="3" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Isoleucine" mono_mass="113.084064" three_letter="Ile" title="I">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="113.1576" full_name="Leucine" mono_mass="113.084064" three_letter="Leu" title="L">
+      <umod:element number="11" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="128.1723" full_name="Lysine" mono_mass="128.094963" three_letter="Lys" title="K">
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="131.1961" full_name="Methionine" mono_mass="131.040485" three_letter="Met" title="M">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+      <umod:element number="1" symbol="S"/>
+    </umod:aa>
+    <umod:aa avge_mass="147.1739" full_name="Phenylalanine" mono_mass="147.068414" three_letter="Phe" title="F">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="97.1152" full_name="Proline" mono_mass="97.052764" three_letter="Pro" title="P">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="87.0773" full_name="Serine" mono_mass="87.032028" three_letter="Ser" title="S">
+      <umod:element number="5" symbol="H"/>
+      <umod:element number="3" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="101.1039" full_name="Threonine" mono_mass="101.047679" three_letter="Thr" title="T">
+      <umod:element number="7" symbol="H"/>
+      <umod:element number="4" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="186.2099" full_name="Tryptophan" mono_mass="186.079313" three_letter="Trp" title="W">
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="2" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="163.1733" full_name="Tyrosine" mono_mass="163.063329" three_letter="Tyr" title="Y">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="2" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="99.1311" full_name="Valine" mono_mass="99.068414" three_letter="Val" title="V">
+      <umod:element number="9" symbol="H"/>
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+    <umod:aa avge_mass="1.0079" full_name="N-term" mono_mass="1.007825" three_letter="N-term" title="N-term">
+      <umod:element number="1" symbol="H"/>
+    </umod:aa>
+    <umod:aa avge_mass="17.0073" full_name="C-term" mono_mass="17.002740" three_letter="C-term" title="C-term">
+      <umod:element number="1" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:aa>
+  </umod:amino_acids>
+
+  <umod:mod_bricks>
+    <umod:brick avge_mass="0.0000" full_name="" mono_mass="0.000000" title="-"/>
+    <umod:brick avge_mass="1.0079" full_name="Hydrogen" mono_mass="1.007825" title="H">
+      <umod:element number="1" symbol="H"/>
+    </umod:brick>
+    <umod:brick avge_mass="12.0107" full_name="Carbon" mono_mass="12.000000" title="C">
+      <umod:element number="1" symbol="C"/>
+    </umod:brick>
+    <umod:brick avge_mass="14.0067" full_name="Nitrogen" mono_mass="14.003074" title="N">
+      <umod:element number="1" symbol="N"/>
+    </umod:brick>
+    <umod:brick avge_mass="15.9994" full_name="Oxygen" mono_mass="15.994915" title="O">
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="30.9738" full_name="Phosphorous" mono_mass="30.973762" title="P">
+      <umod:element number="1" symbol="P"/>
+    </umod:brick>
+    <umod:brick avge_mass="32.0650" full_name="Sulphur" mono_mass="31.972071" title="S">
+      <umod:element number="1" symbol="S"/>
+    </umod:brick>
+    <umod:brick avge_mass="2.0141" full_name="Deuterium" mono_mass="2.014102" title="2H">
+      <umod:element number="1" symbol="2H"/>
+    </umod:brick>
+    <umod:brick avge_mass="17.9992" full_name="Oxygen 18" mono_mass="17.999160" title="18O">
+      <umod:element number="1" symbol="18O"/>
+    </umod:brick>
+    <umod:brick avge_mass="18.9984" full_name="Fluorine" mono_mass="18.998403" title="F">
+      <umod:element number="1" symbol="F"/>
+    </umod:brick>
+    <umod:brick avge_mass="22.9898" full_name="Sodium" mono_mass="22.989768" title="Na">
+      <umod:element number="1" symbol="Na"/>
+    </umod:brick>
+    <umod:brick avge_mass="78.9600" full_name="Selenium" mono_mass="79.916520" title="Se">
+      <umod:element number="1" symbol="Se"/>
+    </umod:brick>
+    <umod:brick avge_mass="162.1406" full_name="Hexose" mono_mass="162.052823" title="Hex">
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="5" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="203.1925" full_name="N-Acetyl Hexosamine" mono_mass="203.079373" title="HexNAc">
+      <umod:element number="8" symbol="C"/>
+      <umod:element number="13" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="5" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="42.0367" full_name="Acetate" mono_mass="42.010565" title="Ac">
+      <umod:element number="2" symbol="C"/>
+      <umod:element number="2" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="146.1412" full_name="Deoxy-hexose" mono_mass="146.057909" title="dHex">
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="10" symbol="H"/>
+      <umod:element number="4" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="176.1241" full_name="Hexosamine" mono_mass="176.032088" title="HexA">
+      <umod:element number="6" symbol="C"/>
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="6" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="250.2027" full_name="3-deoxy-d-glycero-D-galacto-nonulosonic acid" mono_mass="250.068868" title="Kdn">
+      <umod:element number="9" symbol="C"/>
+      <umod:element number="14" symbol="H"/>
+      <umod:element number="8" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="220.1767" full_name="2-keto-3-deoxyoctulosonic acid" mono_mass="220.058303" title="Kdo">
+      <umod:element number="8" symbol="C"/>
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="7" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="14.0266" full_name="Methyl" mono_mass="14.015650" title="Me">
+      <umod:element number="1" symbol="C"/>
+      <umod:element number="2" symbol="H"/>
+    </umod:brick>
+    <umod:brick avge_mass="291.2546" full_name="N-acetyl neuraminic acid" mono_mass="291.095417" title="NeuAc">
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="17" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="8" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="307.2540" full_name="N-glycoyl neuraminic acid" mono_mass="307.090331" title="NeuGc">
+      <umod:element number="11" symbol="C"/>
+      <umod:element number="17" symbol="H"/>
+      <umod:element number="1" symbol="N"/>
+      <umod:element number="9" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="18.0153" full_name="Water" mono_mass="18.010565" title="Water">
+      <umod:element number="2" symbol="H"/>
+      <umod:element number="1" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="79.9799" full_name="Phosphate" mono_mass="79.966331" title="Phos">
+      <umod:element number="1" symbol="H"/>
+      <umod:element number="1" symbol="P"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="80.0632" full_name="Sulfate" mono_mass="79.956815" title="Sulf">
+      <umod:element number="1" symbol="S"/>
+      <umod:element number="3" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="132.1146" full_name="Pentose" mono_mass="132.042259" title="Pent">
+      <umod:element number="5" symbol="C"/>
+      <umod:element number="8" symbol="H"/>
+      <umod:element number="4" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="6.9410" full_name="Lithium" mono_mass="7.016003" title="Li">
+      <umod:element number="1" symbol="Li"/>
+    </umod:brick>
+    <umod:brick avge_mass="13.0034" full_name="Carbon 13" mono_mass="13.003355" title="13C">
+      <umod:element number="1" symbol="13C"/>
+    </umod:brick>
+    <umod:brick avge_mass="15.0001" full_name="Nitrogen 15" mono_mass="15.000109" title="15N">
+      <umod:element number="1" symbol="15N"/>
+    </umod:brick>
+    <umod:brick avge_mass="35.4530" full_name="Chlorine" mono_mass="34.968853" title="Cl">
+      <umod:element number="1" symbol="Cl"/>
+    </umod:brick>
+    <umod:brick avge_mass="39.0983" full_name="Potassium" mono_mass="38.963707" title="K">
+      <umod:element number="1" symbol="K"/>
+    </umod:brick>
+    <umod:brick avge_mass="40.0780" full_name="Calcium" mono_mass="39.962591" title="Ca">
+      <umod:element number="1" symbol="Ca"/>
+    </umod:brick>
+    <umod:brick avge_mass="55.8450" full_name="Iron" mono_mass="55.934939" title="Fe">
+      <umod:element number="1" symbol="Fe"/>
+    </umod:brick>
+    <umod:brick avge_mass="58.6934" full_name="Nickel" mono_mass="57.935346" title="Ni">
+      <umod:element number="1" symbol="Ni"/>
+    </umod:brick>
+    <umod:brick avge_mass="65.4090" full_name="Zinc" mono_mass="63.929145" title="Zn">
+      <umod:element number="1" symbol="Zn"/>
+    </umod:brick>
+    <umod:brick avge_mass="79.9040" full_name="Bromine" mono_mass="78.918336" title="Br">
+      <umod:element number="1" symbol="Br"/>
+    </umod:brick>
+    <umod:brick avge_mass="107.8682" full_name="Silver" mono_mass="106.905092" title="Ag">
+      <umod:element number="1" symbol="Ag"/>
+    </umod:brick>
+    <umod:brick avge_mass="200.5900" full_name="Mercury" mono_mass="201.970617" title="Hg">
+      <umod:element number="1" symbol="Hg"/>
+    </umod:brick>
+    <umod:brick avge_mass="196.9666" full_name="Gold" mono_mass="196.966543" title="Au">
+      <umod:element number="1" symbol="Au"/>
+    </umod:brick>
+    <umod:brick avge_mass="126.9045" full_name="Iodine" mono_mass="126.904473" title="I">
+      <umod:element number="1" symbol="I"/>
+    </umod:brick>
+    <umod:brick avge_mass="95.9400" full_name="Molybdenum" mono_mass="97.905407" title="Mo">
+      <umod:element number="1" symbol="Mo"/>
+    </umod:brick>
+    <umod:brick avge_mass="63.5460" full_name="Copper" mono_mass="62.929599" title="Cu">
+      <umod:element number="1" symbol="Cu"/>
+    </umod:brick>
+    <umod:brick avge_mass="192.1666" full_name="Heptose" mono_mass="192.063388" title="Hep">
+      <umod:element number="7" symbol="C"/>
+      <umod:element number="12" symbol="H"/>
+      <umod:element number="6" symbol="O"/>
+    </umod:brick>
+    <umod:brick avge_mass="10.8110" full_name="Boron" mono_mass="11.009305" title="B">
+      <umod:element number="1" symbol="B"/>
+    </umod:brick>
+    <umod:brick avge_mass="74.9216" full_name="Arsenic" mono_mass="74.921594" title="As">
+      <umod:element number="1" symbol="As"/>
+    </umod:brick>
+    <umod:brick avge_mass="112.4110" full_name="Cadmium" mono_mass="113.903357" title="Cd">
+      <umod:element number="1" symbol="Cd"/>
+    </umod:brick>
+    <umod:brick avge_mass="51.9961" full_name="Chromium" mono_mass="51.940510" title="Cr">
+      <umod:element number="1" symbol="Cr"/>
+    </umod:brick>
+    <umod:brick avge_mass="58.9332" full_name="Cobalt" mono_mass="58.933198" title="Co">
+      <umod:element number="1" symbol="Co"/>
+    </umod:brick>
+    <umod:brick avge_mass="54.9380" full_name="Manganese" mono_mass="54.938047" title="Mn">
+      <umod:element number="1" symbol="Mn"/>
+    </umod:brick>
+    <umod:brick avge_mass="24.3050" full_name="Magnesium" mono_mass="23.985042" title="Mg">
+      <umod:element number="1" symbol="Mg"/>
+    </umod:brick>
+    <umod:brick avge_mass="106.4200" full_name="Palladium" mono_mass="105.903478" title="Pd">
+      <umod:element number="1" symbol="Pd"/>
+    </umod:brick>
+  </umod:mod_bricks>
+
+</umod:unimod>
diff --git a/tests/extend_kb_with_amino_acids_test.py b/tests/extend_kb_with_amino_acids_test.py
new file mode 100644
index 0000000..51b4f2b
--- /dev/null
+++ b/tests/extend_kb_with_amino_acids_test.py
@@ -0,0 +1,75 @@
+#!/usr/bin/env python
+# encoding: utf-8
+"""
+
+Test _extend_kb_with_fixed_labels from core
+
+"""
+import pyqms
+import sys
+import unittest
+
+TESTS = [
+    {
+        "in": {
+            "params": {
+                "molecules": ["UU"],
+                "charges": [2],
+                "params": {"AMINO_ACIDS": {"U": "C(3)H(7)N(1)O(2)Se(1)"}},
+            }
+        },
+        "out": {
+            "aa": {"U": {"C": 3, "H": 7, "N": 1, "O": 2, "Se": 1}},
+            "formula": "C(6)H(16)N(2)O(5)Se(2)",
+        },
+    }
+]
+# 2 isotope element (N,nitrogen)
+CRASH_TESTS = {
+    "in": {
+        "params": {
+            "molecules": ["KLEINERTEST"],
+            "charges": [2],
+            "fixed_labels": {
+                # non existing aa
+                "X": ["C(-6) 13C(6) N(-4) 15N(4)"]
+            },
+        }
+    },
+    "out": {
+        # 'formated_molecule' : ['KLEINER0TEST'],
+    },
+}
+
+
+def extend_kb_with_amino_acids_test():
+    for test_id, test_dict in enumerate(TESTS):
+        yield _extend_kb_with_amino_acids, test_id, test_dict
+
+
+def _extend_kb_with_amino_acids(test_id, test_dict):
+
+    lib_1 = pyqms.IsotopologueLibrary(**test_dict["in"]["params"])
+    for aa, composition in test_dict["out"]["aa"].items():
+        assert aa in lib_1.aa_compositions
+        assert composition == lib_1.aa_compositions[aa]
+
+    formula_1 = list(lib_1.keys())[0]
+    assert test_dict["out"]["formula"] == formula_1
+
+
+class TestResults(unittest.TestCase):
+    def setUp(self):
+        pass
+
+    def crash_test(self):
+        """
+        Check if a key error is raised when using a non existent amino acid
+        """
+        with self.assertRaises(SystemExit) as system_exit_check:
+            pyqms.IsotopologueLibrary(**CRASH_TESTS["in"]["params"])
+        self.assertEqual(system_exit_check.exception.code, 1)
+
+
+if __name__ == "__main__":
+    pass
diff --git a/tests/peptide_sequence_test.py b/tests/peptide_sequence_test.py
new file mode 100644
index 0000000..afd2e8b
--- /dev/null
+++ b/tests/peptide_sequence_test.py
@@ -0,0 +1,56 @@
+import pyqms
+from pathlib import Path
+
+tests_path = Path(__file__).parent
+app_path = tests_path.parent
+
+unimod_file_list = [
+    tests_path.joinpath("data", "test_usermod.xml"),
+    app_path.joinpath("pyqms", "kb", "ext", "unimod.xml"),
+]
+
+TESTS = [
+    {
+        "input": "TESTPEPTIDE",
+        "output": {
+            "cc": "C(50)H(79)N(11)O(24)",
+            "abun": [52441, 31423, 11803, 3313, 763, 134, 23, 2, 0, 0, 0],
+            "tmzs": {609769, 609770, 609771, 609772, 609773, 609774, 609775},
+        },
+    },
+    {
+        "input": "TESTPEPTIDE#Oxidation:1",
+        "output": {
+            "cc": "C(50)H(79)N(11)O(25)",
+            "abun": [52314, 31367, 11894, 3374, 787, 140, 24, 3, 0, 0, 0],
+            "tmzs": {617767, 617768, 617769, 617770, 617771, 617772, 617773},
+        },
+    },
+    {
+        "input": "TESTPEPTIDE#SILAC TMT:0",
+        "output": {
+            "cc": "C(52)H(99)13C(10)15N(1)N(12)O(26)",
+            "abun": [12, 2247, 49894, 30980, 12102, 3539, 849, 156, 28, 3, 0, 0, 0],
+            "tmzs": {726859, 726860, 726861, 726862, 726863, 726864, 726865, 726866},
+        },
+    },
+]
+
+
+def peptide_sequence_test():
+    for test in TESTS:
+        yield sequence_to_isotopes, test["input"], test["output"]
+
+
+def sequence_to_isotopes(sequence, results):
+    lib = pyqms.IsotopologueLibrary(
+        molecules=[sequence], charges=[2], unimod_files=unimod_file_list
+    )
+    assert results["cc"] in lib
+    iso_data = lib[results["cc"]]["env"][(("N", "0.000"),)]
+    assert iso_data["abun"] == results["abun"]
+    # test first non-None set of tmzs
+    for i in range(len(iso_data[2]["tmzs"])):
+        if iso_data[2]["tmzs"][i] is not None:
+            break
+    assert iso_data[2]["tmzs"][i] == results["tmzs"]