cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.26188/31361227
title: Supplementary Table_Evaluating the temperature-dependent effects of three preservative treatments on microbial growth in raw goat colostrum

description: The objective was to evaluate temperature-dependent effects of potassium sorbate (<b>PS</b>; 0.5% w/v), sodium benzoate (<b>SB</b>; 0.5% w/v), and sodium L-lactate (<b>SL</b>; 0.3% w/v) on bacterial growth and pH in goat colostrum. Samples were stored at 4°C (0–168 h) or 25°C (0–48 h). Coliforms, total bacterial count (<b>TBC</b>), and <i>Escherichia coli</i> (<b><i>E. coli</i></b>) were enumerated using Compact Dry plates. At 4°C, counts were stable early, but by 168 h coliforms in the control group (<b>CTR</b>) reached 6.97 log10 CFU/mL and SL tracked the CTR. PS and SB maintained coliforms near baseline (~4.0 log10 CFU/mL; ≈3.0 log10 lower than CTR) and reduced TBC by &gt;1.3 log10 CFU/mL at 168 h. <i>E. coli</i> remained low. At 25°C, the CTR and SL showed rapid proliferation (coliforms 6.72 log10 at 12 h; <i>E. coli</i> 4.43 log10 and TBC 9.14 log10 at 24 h). PS and SB markedly suppressed growth, reducing coliforms by 2.39–2.91 log10 at 12 h and limiting <i>E. coli</i> to near/below detection. Mean pH was inversely associated with coliform counts. Overall, PS and SB consistently suppressed bacterial growth, whereas SL showed minimal or inconsistent effects.
DOI: 10.26188/31361227.v1
title: Supplementary Table_Evaluating the temperature-dependent effects of three preservative treatments on microbial growth in raw goat colostrum

description: The objective was to evaluate temperature-dependent effects of potassium sorbate (<b>PS</b>; 0.5% w/v), sodium benzoate (<b>SB</b>; 0.5% w/v), and sodium L-lactate (<b>SL</b>; 0.3% w/v) on bacterial growth and pH in goat colostrum. Samples were stored at 4°C (0–168 h) or 25°C (0–48 h). Coliforms, total bacterial count (<b>TBC</b>), and <i>Escherichia coli</i> (<b><i>E. coli</i></b>) were enumerated using Compact Dry plates. At 4°C, counts were stable early, but by 168 h coliforms in the control group (<b>CTR</b>) reached 6.97 log10 CFU/mL and SL tracked the CTR. PS and SB maintained coliforms near baseline (~4.0 log10 CFU/mL; ≈3.0 log10 lower than CTR) and reduced TBC by &gt;1.3 log10 CFU/mL at 168 h. <i>E. coli</i> remained low. At 25°C, the CTR and SL showed rapid proliferation (coliforms 6.72 log10 at 12 h; <i>E. coli</i> 4.43 log10 and TBC 9.14 log10 at 24 h). PS and SB markedly suppressed growth, reducing coliforms by 2.39–2.91 log10 at 12 h and limiting <i>E. coli</i> to near/below detection. Mean pH was inversely associated with coliform counts. Overall, PS and SB consistently suppressed bacterial growth, whereas SL showed minimal or inconsistent effects.
DOI: 10.15468/dl.q7a257
title: Occurrence Download

description: A dataset containing 35 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Year is greater than or equal to 1900",
 "TaxonKey is Setaria mendocina"
 ]
}

 The dataset includes 35 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026779-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.erykd8
title: Occurrence Download

description: A dataset containing 582 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Micropterus notius",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is MANAGED"
 ]
 }
 },
 {
 "not" : {
 "EstablishmentMeans" : [
 "is not null"
 ]
 }
 }
 ]
 },
 {
 "or" : [
 "OccurrenceStatus is Present",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is not null"
 ]
 }
 }
 ]
 }
 ]
}

 The dataset includes 582 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026780-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5hvgqc
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0069787-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qswyh8
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012566-181003121212138/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bvskc9
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0069772-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.def745
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023101-190621201848488/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wck53n
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-95.45746 16.50146,-94.5401 16.50146,-94.5401 17.68799,-95.45746 17.68799,-95.45746 16.50146))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 {
 "or" : [
 "InstitutionCode is ummz",
 "InstitutionCode is ibunam",
 "InstitutionCode is encb-ipn"
 ]
 },
 "TaxonKey is Xiphophorus clemenciae Álvarez, 1959"
 ]
}

 The dataset includes 15 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076316-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4suuhx
title: Occurrence Download

description: A dataset containing 33232766 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asteraceae"
 ]
}

 The dataset includes 33232766 records from 3518 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0078909-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2gwsw5
title: Occurrence Download

description: A dataset containing 22662 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (CHN.24_1, CHN.24.1_1, CHN.24.1.10_1)",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves",
 "Year 2021-2021"
 ]
}

 The dataset includes 22662 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032656-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18419/darus-4090
title: Data: A Novel ELSA Model for Flash Evaporation

description: &lt;h1&gt;OpenFOAM Case Files for "A Novel ELSA Model for Flash Evaporation"&lt;/h1&gt;

&lt;p&gt;
This dataset contains the OpenFOAM case files to generate the published data in:
&lt;/p&gt;
&lt;p&gt;
J. W. Gärtner and A. Kronenburg, "A Novel ELSA Model for Flash Evaporation", International Journal of Multiphase Flow, vol. 174, 2024, doi: &lt;a href="https://doi.org/10.1016/j.ijmultiphaseflow.2024.104784"&gt;10.1016/j.ijmultiphaseflow.2024.104784&lt;/a&gt;
&lt;/p&gt;

&lt;h2&gt;Content&lt;/h2&gt;

This dataset contains three files:
&lt;dl&gt;
&lt;dt&gt;Codes.tar.gz&lt;/dt&gt;
&lt;dd&gt;Python library to read in sampled line data of OpenFOAM. Required for the jupyter-notebooks in the LN2-2D-RANS and Lebas-TestCases archives.&lt;/dd&gt;
&lt;dt&gt;LN2-2D-RANS.tar.gz&lt;/dt&gt;
&lt;dd&gt;This tar archive contains all OpenFOAM case files of the LN2 cases that are presented in the publication. Further, the jupyter-notebook files to generate the plots of the publication are included.&lt;/dd&gt;
&lt;dt&gt;Lebas-TestCases.tar.gz&lt;/dt&gt;
&lt;dd&gt;This tar archive contains the OpenFOAM cases for the standard ELSA model validation. Further, the jupyter-notebook files to generate the plots of the publication are included.&lt;/dd&gt;
&lt;/dl&gt;

&lt;h2&gt;Requirements&lt;/h2&gt;
To reproduce the data, OpenFOAM v2012 with the compressiblePhaseChangeFoam solver has to be installed. The compressiblePhaseChangeFoam solver is not a standard OpenFOAM solver and can be accessed on DaRUS at this location: &lt;a href="https://doi.org/10.18419/darus-3886"&gt;
Compressible Two-Phase One-Fluid Solver&lt;/a&gt;
&lt;p&gt;
&lt;strong&gt;Note that the dataset is restricted, and access has to be requested!&lt;/strong&gt;
&lt;/p&gt;
DOI: 10.5519/qd.ugfyn9uz
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (9 records)
DOI: 10.15468/dl.j75xyr
title: Occurrence Download

description: A dataset containing 181 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cirsium alpicola Nakai",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is Japan"
 ]
}

 The dataset includes 181 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032658-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ww9b3v
title: Occurrence Download

description: A dataset containing 44 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Country is Philippines",
 "TaxonKey is Acanthaster planci (Linnaeus, 1758)",
 "Year 1850-2025"
 ]
}

 The dataset includes 44 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032660-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pqgf9g
title: Occurrence Download

description: A dataset containing 676 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Gaultheria adenothrix (Miq.) Maxim.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is Japan"
 ]
}

 The dataset includes 676 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032661-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vaf7wg
title: Occurrence Download

description: A dataset containing 132 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Taraxacum alpicola Kitam.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is Japan"
 ]
}

 The dataset includes 132 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032662-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28459112
title: Organic Food Environment Assessment Dataset

description: This dataset was produced as part of a study on the availability, price, and marketing characteristics of organic foods and beverages. The cleaned dataset contains anonymised vendor-level data for 808 vendors surveyed across Brazil, India, and the UK.


The protocol for this study is available at the following link:

https://doi.org/10.17605/OSF.IO/CWTVJ
DOI: 10.15468/dl.gu3thp
title: Occurrence Download

description: A dataset containing 101 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Mucuna bennettii F.Muell.)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 101 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032663-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7k7ex5
title: Occurrence Download

description: A dataset containing 222 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bupleurum nipponicum Koso-Pol.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is Japan"
 ]
}

 The dataset includes 222 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032667-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pw45ek
title: Occurrence Download

description: A dataset containing 123 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Parthenium hysterophorus L.",
 "Country is Tanzania, United Republic of",
 "Year is greater than or equal to 1500"
 ]
}

 The dataset includes 123 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032668-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.auudn7
title: Occurrence Download

description: A dataset containing 2028333 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Lepidorhombus boscii (Risso, 1810), Amphipoea keiferi Benjamin, 1935, Eulonchus marginatus Osten Sacken, 1877, Halipegus zweifeli Moravec & Sey, 1989, Maxvachonia ingens Bursey, Goldberg & Kraus, 2011, Parapolystoma bulliense (Johnston, 1912) Ozaki, 1935, Seuratascaris numidica (Seurat, 1917) Sprent, 1985, Trematomus pennellii Regan, 1914, Habronattus pyrrithrix (Chamberlin, 1924), Arachnophaga picardi (Bernard, 1936), Anastatus lichtensteini (Ruschka, 1921), Podagrion pachymerum (Walker, 1833), Podagrion gibbum Bernard, 1938, Microdontomerus iridis (Picard, 1930), Astrostole scabra (Hutton, 1872), Monochroa divisella (Douglas, 1850), Hyaloperonospora isatidis (Gäum.) Göker, Riethm., Voglmayr, Weiss & Oberw., Trachurus symmetricus (Ayres, 1855), Raja rhina Jordan & Gilbert, 1880, Phocoenoides dalli (True, 1885), Hamirostra melanosternon (Gould, 1841), Varanus brevicauda Boulenger, 1898, Accipiter fasciatus (Vigors & Horsfield, 1827), Falco cenchroides Vigors & Horsfield, 1827, Suta punctata (Boulenger, 1896), Haliastur sphenurus (Vieillot, 1818), Varanus eremius Lucas & Frost, 1895, Corvus coronoides Vigors & Horsfield, 1827, Varanus gouldii (Gray, 1838), Falco berigora Vigors & Horsfield, 1827, Lialis burtonis Gray, 1835, Antaresia perthensis (Stull, 1932), Pseudonaja nuchalis Günther, 1858, Cryptophis boschmai (Brongersma & Knaap Van Meeuven, 1964), Nosema dungeri Purrini, 1982, Diplocephalus latifrons (O.Pickard-Cambridge, 1863), Bythinus acutangulus Reitter, 1878, Atheta lativentris J.Sahlberg, 1876, Tapinocyba pallens (O.Pickard-Cambridge, 1873), Veigaia exigua (A.Berlese, 1916), Holoparasitus stramenti Karg, 1971, Epicrius canestrinii Haller, 1881, Acrotona sylvicola (Kraatz, 1856), Uroseius cylindricus (Berlese, 1916), Pergamasus vagabundus Karg, 1968, Vulgarogamasus kraepelini (A.Berlese, 1905), Leptogamasus suecicus Trägårdh, 1936, Veigaia kochi (Trägårdh, 1901), Pergamasus conus (Karg, 1971), Veigaia cerva (P.Kramer, 1876))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 2028333 records from 587 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032631-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ks7c86
title: Occurrence Download

description: A dataset containing 7589805 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Penicillium verrucosum Dierckx, Sarocladium kiliense (Grütz) Summerb., Lymantria dispar japonica Motschulsky, 1860, Nemoria saturiba Ferguson, 1969, Citheronia beledonon Dyar, 1912, Heliria cornutula Ball, Telamona salvini Distant, Telamona woodruffi Ball, Poecile carolinensis (Audubon, 1834), Phyllocnistis liquidambarisella Chambers, 1875, Hapithus saltator (Uhler, 1864), Pteroptrix bicolor (Howard, 1898), Epimecis hortaria (Fabricius, 1794), Illinoia liriodendri (Monell, 1879), Phomopsis liriodendri Grove, Erysiphe liriodendri Schwein., 1832, Euzophera ostricolorella Hulst, 1890, Phyllocnistis liriodendronella Clemens, 1863, Papilio elwesi, Callosamia angulifera Walker, 1855, Liriodendron tulipifera L., Anicetus toumeyellae Milliron, 1959, Gymnoscelis derogata (Walker, 1866), Chlumetia transversa (Walker, 1863), Echiomima fabulosa Meyrick, 1915, Tachardiaephagus tachardiae (Howard, 1896), Erencyrtus dewitzii Mahdihassan, 1923, Tarsolepis elephantorum Bänziger, 1988, Oligonychus yothersi (McGregor, 1914), Hyposidra apioleuca Prout, 1916, Perixera illepidaria (Guenée), Pingasa chlora (Stoll, 1782), Syllepte pallidinotalis Hampson, 1912, Proteoteras implicata Heinrich, 1924, Penthicodes variegata Guérin-Méneville, 1829, Litchiomyia chinensis Yang & Luo, 1999, Conopomorpha sinensis Bradley, 1986, Homona eductana (Walker, 1863), Euthalia phemius Doubleday, 1848, Java nigrita, Vespa bicolor Fabricius, 1787, Lymantria mathura Moore, 1865, Cavitas concava Xiao & Huang, 2001, Encarsia luoae Huang & Polaszek, 1998, Eurytoma siamense Zerova, 1995, Ooencyrtus phongi Trjapitzin, Myartseva & Kostjukov, 1977, Aceria litchii (Keifer, 1943), Agromyza lithospermi Spencer, 1963, Longitarsus aeneicollis (Faldermann, 1837), Ethmia longimaculella Chambers, 1872)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 7589805 records from 657 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032635-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ne4xj5
title: Occurrence Download

description: A dataset containing 266 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Dianthus shinanensis (Yatabe) Makino",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is Japan"
 ]
}

 The dataset includes 266 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032669-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.10837523
title: FragHub
DOI: 10.5281/zenodo.10843117
title: FragHub
DOI: 10.5281/zenodo.11057687
title: FragHub

description: INPUT.7z contains the initial data of the original spectra from the OMSLs (Open Mass Spectral Libraries).OUTPUT.7z contains the filtered and standardized data of these spectra after processing by FragHub.
DOI: 10.5281/zenodo.11483752
title: FragHub

description: INPUT.7z contains the initial data of the original spectra from the OMSLs (Open Mass Spectral Libraries).OUTPUT.7z contains the filtered and standardized data of these spectra after processing by FragHub, for each output files formats.
DOI: 10.5281/zenodo.12820664
title: FragHub

description: INPUT.7z contains the initial data of the original spectra from the OMSLs (Open Mass Spectral Libraries).OUTPUT.7z contains the filtered and standardized data of these spectra after processing by FragHub, for each output files formats.
DOI: 10.5281/zenodo.14620928
title: FragHub

description: INPUT.7z contains the initial data of the original spectra from the OMSLs (Open Mass Spectral Libraries).OUTPUT.7z contains the filtered and standardized data of these spectra after processing by FragHub, for each output files formats.
DOI: 10.5281/zenodo.14761050
title: FragHub

description: FragHub v1.2.4

Repository v8

 

 

 INPUT_FILES downloaded in .mgf, .msp, .json or .csv)

https://systemsomicslab.github.io/compms/msdial/main.html#MS

https://github.com/MassBank/MassBank-data/releases/tag/2024.11

https://mona.fiehnlab.ucdavis.edu/downloads

https://external.gnps2.org/gnpslibrary

https://www.metaboanalyst.ca/docs/Databases.xhtml

https://zenodo.org/records/8287341

https://zenodo.org/records/13911806

 

OUTPUT_FILES available in .csv, .json or .msp

Integration results:

 

    ===================== PARAMETERS =====================

    normalize_intensity: ON

    remove_peak_above_precursormz: ON

    check_minimum_peak_requiered: ON

    n_peaks: 3.0

    reduce_peak_list: ON

        max_peaks: 500.0

    remove_spectrum_under_entropy_score: OFF

        entropy_score_value: 0.5

    keep_mz_in_range: ON

        from_mz: 50.0

        to_mz: 2000.0

    check_minimum_of_high_peaks_requiered: ON

        intensity_percent: 5

        no_peaks: 2

    

    reset_updates: NO

    

     

    ======================= FILTERED OUT =======================

    No peaks list: 0

    No smiles, no inchi, no inchikey: 123401

    No precursor mz: 9898

    No or bad adduct: 4315818

    Low entropy score: 0

    Minimum peaks not required: 159243

    All peaks above precursor mz: 3502

    No peaks in mz range: 1006

    Minimum high peaks not required: 93163

    

     

    ================== SPECTRUM NUMBER ==================

    POS LC Exp: 1056998

    NEG LC Exp: 389093

    POS LC InSilico: 233623

    NEG LC InSilico: 228443

    POS GC Exp: 46

    NEG GC Exp: 0

    POS GC InSilico: 1

    NEG GC InSilico: 0

 

    Total: 1908204

     

    ================= UNIQUE INCHIKEYS ==================

    POS LC Exp: 138374

    NEG LC Exp: 80992

    POS LC InSilico: 109085

    NEG LC InSilico: 105233

    POS GC Exp: 43

    NEG GC Exp: 0

    POS GC InSilico: 1

    NEG GC InSilico: 0

 

    TOTAL Unique InChIKeys: 304124