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Liquid chromatography/mass spectrometric analysis of explosives: RDX adduct ions
Author(s) -
Gapeev Alexei,
Sigman Michael,
Yi Jehuda
Publication year - 2003
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.1006
Subject(s) - chemistry , atmospheric pressure chemical ionization , adduct , mass spectrometry , electrospray ionization , chemical ionization , ammonium formate , formate , ion , methyl formate , molecule , formic acid , decomposition , chromatography , analytical chemistry (journal) , ionization , organic chemistry , methanol , catalysis
In liquid chromatography/mass spectrometry (LC/MS) of 1,3,5‐trinitro‐1,3,5‐triazacyclohexane (RDX), attachment of an anion to the analyte molecule is the major way of producing characteristic ions under electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) conditions. The formation of RDX cluster ions in LC/MS and the origin of the clustering agents have been studied. In order to determine whether the clustering anions originate from self‐decomposition of RDX in the source or from impurities in the mobile phase, isotopically labeled RDX ( 13 C 3 ‐RDX and 15 N 6 ‐RDX) and isotopically labeled glycolic acid, acetic acid, ammonium formate and formaldehyde have been used in order to establish the composition and formation route of RDX adduct ions produced in ESI and APCI sources. The results showed that, in ESI, self‐decomposition of RDX plays no role in adduct ion formation; rather, RDX clusters with formate, acetate, hydroxyacetate, and chloride anions present in the mobile phase as impurities at ppm levels. In APCI, part of the RDX molecules decompose yielding NO 2 − species which in turn cluster with a second RDX molecule producing abundant [M+NO 2 ] − cluster ions. Copyright © 2003 John Wiley & Sons, Ltd.