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Fragmentation study of hexanitrostilbene by ion trap multiple mass spectrometry and analysis by liquid chromatography/mass spectrometry
Author(s) -
Fu Xiaofang,
Zhang Yong,
Shi Shenhua,
Gao Fei,
Wen Dawei,
Li Wei,
Liao Yiping,
Liu Huwei
Publication year - 2006
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.2683
Subject(s) - chemistry , mass spectrometry , ion trap , atmospheric pressure chemical ionization , fragmentation (computing) , chromatography , analytical chemistry (journal) , ion , electrospray , electrospray ionization , chemical ionization , ionization , electron ionization , organic chemistry , computer science , operating system
Abstract The fragmentation pathways of three explosive compounds with similar structures, hexanitrostilbene (HNS), cyclotrimethylene trinitramine (RDX), and 2,4,6‐trinitrotoluene (TNT), have been investigated by multiple mass spectrometry (MS n , n = 1, 2, 3) with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) sources. The electron capture mechanism for these compounds in negative ion APCI and ESI mode differs from the usual negative ion mechanism, deprotonation or addition of other species. This was shown for HNS and TNT, which both gave a [M] − anion but not a [M–H] − ion in APCI, and the [M] − anion of HNS was observed in ESI. The quantitative analysis of HNS was performed by liquid chromatography (LC)/ESI‐MS, and the results obtained by the internal standard (ISTD) method were compared with those from the external standard (ESTD) method, demonstrating that both quantitation approaches are useful, with good sensitivity, reproducibility and linearity, and ESTD is preferable in routine applications. Copyright © 2006 John Wiley & Sons, Ltd.