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Mass spectrometry as a tool for characterization of N , N ‐dialkylaminoethane‐ 2‐thiols—precursors and degradation products of chemical warfare agents
Author(s) -
Papoušková Barbora,
Bednář Petr,
Stýskala Jakub,
Hlaváč Jan,
Barták Petr,
Lemr Karel
Publication year - 2009
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.1674
Subject(s) - chemistry , trifluoroacetic acid , fragmentation (computing) , mass spectrometry , electrospray ionization , chromatography , electrospray , degradation (telecommunications) , telecommunications , computer science , operating system
N , N ‐dialkylaminoethane‐2‐thiols belong to the group of precursors and degradation products of chemical warfare agents (CWAs). These compounds were analyzed by means of electrospray ionization‐multiple stage mass spectrometry (ion trap) and proposed fragments were confirmed by accurate mass measurement using a QqTOF system. The fragmentation pathways of studied compounds and the products of oxidation (formation of ‐S‐S‐ linkage) were described. Some minor interesting processes, such as rearrangement of SH group, were observed and proved. A new µLC/MS method, based on ion‐pairing chromatography, was developed. Trifluoroacetic acid was employed as an ion‐pairing agent to increase the low retention of compounds of interest in the reverse‐phase system. The technique was compared with the UPLC/MS method, allowing fast analysis of all the studied thiols as well as an explorative control of originated disulfides. Copyright © 2009 John Wiley & Sons, Ltd.