DOI: 10.5061/dryad.0kb1h63
title: Data from: Two-step pyrolysis-gas chromatography method with mass spectrometric detection for identification of tattoo ink ingredients and counterfeit products

description: Tattoo inks are complex mixtures of ingredients. Each of them possesses
 different chemical properties which have to be addressed upon chemical
 analysis. In this method for two-step pyrolysis online coupled to gas
 chromatography mass spectrometry (py-GC-MS) volatile compounds are
 analyzed during a first desorption run. In the second run, the same dried
 sample is pyrolyzed for analysis of non-volatile compounds such as
 pigments and polymers. These can be identified by their specific
 decomposition patterns. Additionally, this method can be used to
 differentiate original from counterfeit inks. Easy screening methods for
 data evaluation using the average mass spectra and self-made pyrolysis
 libraries are applied to speed up substance identification. Using
 specialized evaluation software for pyrolysis GS-MS data, a fast and
 reliable comparison of the full chromatogram can be achieved. Since GC-MS
 is used as separation technique, the method is limited to volatile
 substances upon desorption and after pyrolysis of the sample. The method
 can be applied for quick substance screening in market control surveys
 since it requires no sample preparation steps.
description: Schreiver et al 2019
 ChemStation_Library_Pigments_Polymers.LThis library contains
 spectra of specific pigment pyrolysis products that are not yet included
 in standard GC-MS libraries. Most decomposition products are unknown.
 Select this library (file format “.L”) in the GC-MS Software Enhanced
 ChemStation (Agilent Technologies, Waldbronn, Germany) as first choice.
 When hits have a probability below 80%, use NIST/EPA/NIH Mass Spectral
 Library (EI) mainlib as second choice library. The files are specific for
 the corresponding software but may be converted into other file
 types.Schreiver et al 2019
 ChemStation_Library_AMS_Pigments_Polymers.LThis library contains
 average mass spectra (AMS) of specific pigment pyrolysis GC-MS runs.
 Select this library (file format “.L”) in the GC-MS Software Enhanced
 ChemStation (Agilent Technologies, Waldbronn, Germany) for fast screening
 for pigment identities. Create an AMS of the unknown pyrogram and start
 the search. The files are specific for the corresponding software but may
 be converted into other file types.Schreiver et al 2019
 MSChromSearch_Library_Pigments_PolymereThese data files are
 readily converted pyrograms of pigments for the specialized pyrogram
 search software (MSChromSearch, Axel Semrau GmbH & Co. KG,
 Sprockhövel, Germany). All pigments were pyrolyzed at 800°C. Double
 entries relate to different purity grades, manufacturers or repetitions at
 different time points. To speed up the search, only 2-3 spectra of the
 pigments should be used (advanced search options). Load the file
 “Pigment_search_spectra.spf“. This contains 2-3 characteristic spectra for
 all pigments already included in the library.Schreiver et al 2019
 Pigment_pyrograms_elu_filesThese data files are
 pyrograms of different pigments at 800°C. Double entries relate to
 different purity grades, manufacturers or repetitions at different time
 points. The Amdis .elu file format can be opened with open source software
 such as OpenChrom (Lablicate GmBH & Scientific community). However,
 the software does not allow pyrogram similarity searches (see data file
 "MSChromSearch_Library_Pigments_Polymers").Schreiver et al 2019
 ChemStation_Library_AMS_Pigments_PolymersThis library contains
 average mass spectra (AMS) of specific pigment pyrolysis GC-MS runs. The
 file format “.MSP” can be opened with open source software such as
 OpenChrom (Lablicate GmBH & Scientific community).Schreiver et al 2019
 ChemStation_Library_Pigments_PolymersThis library contains
 spectra of specific pigment pyrolysis products that are not yet included
 in standard GC-MS libraries. Most decomposition products are unknown. The
 file format “.MSP” can be opened with open source software such as
 OpenChrom (Lablicate GmBH & Scientific community).