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Electrospray ionization tandem mass spectrometry collision‐induced dissociation study of explosives in an ion trap mass spectrometer
Author(s) -
Yi Jehuda,
McClellan Joseph E.,
Yost Richard A.
Publication year - 1997
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/(sici)1097-0231(199712)11:18<1961::aid-rcm99>3.0.co;2-k
Subject(s) - chemistry , pentaerythritol tetranitrate , electrospray ionization , mass spectrometry , tandem mass spectrometry , ion trap , collision induced dissociation , dissociation (chemistry) , fragmentation (computing) , analytical chemistry (journal) , chemical ionization , electrospray , mass spectrum , ion , ionization , chromatography , explosive material , organic chemistry , computer science , operating system
Electrospray ionization (ESI) tandem mass spectrometry collision‐induced dissociation (CID) fragmentation processes of a series of nitroaromatic, nitramine and nitrate ester explosives were studied in the negative‐ion mode using daughter‐ion, parent‐ion and neutral loss scans. 2,4,6‐Trinitrotoluene (TNT) was characterized by loss of OH, NO and NO 2 . 1,3,5‐Trinitro‐1,3,5‐triazacyclohexane (RDX) and 1,3,5,7‐tetranitro‐1,3,5,7‐tetrazacyclooctane (HMX) were characterized by loss of CH 2 NNO 2 , NNO 2 , NO 2 and N 2 O. 2,4,6,N‐Tetranitro‐N‐methylaniline (tetryl) and its hydrolysis product, N‐methylpicramide, showed losses of NO 2 , HNO 2 and NNO 2 . Pentaerythritol tetranitrate (PETN), glycerol trinitrate (nitroglycerin) and ethylene glycol dinitrate (EGDN) were characterized by loss of CH 2 NO 2 , CH 2 NO, CHNO 2 , ONO 2 , NO 2 and NO. Similarities were found between ESI and negative chemical ionization mass spectra as well as between their CID fragmentation processes. Detection limits of TNT, tetryl, PETN, RDX and HM were found to be in the 5–10 pg range. © 1997 John Wiley & Sons, Ltd.