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Mass spectral fragmentation patterns of deuterated hexanitrobibenzyl and hexanitrostilbene
Author(s) -
Yi Jehuda,
Fraisse Daniel,
Dagley Ian J.,
Lifshitz Chava
Publication year - 1991
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.1290050406
Subject(s) - chemistry , fragmentation (computing) , ion , mass spectrum , collision induced dissociation , chemical ionization , deuterium , mass spectrometry , electron ionization , ionization , polyatomic ion , dissociation (chemistry) , analytical chemistry (journal) , kinetic energy , tandem mass spectrometry , atomic physics , organic chemistry , chromatography , physics , computer science , operating system , quantum mechanics
Mass‐analysed ion kinetic energy (MIKE) spectrometry with collision‐induced dissociation (CID) has been used to study the fragmentation processes of the MH + ions produced by chemical ionization (CI) of a series of deuterated hexanitrostilbene (HNS) and hexanitrobibenzyl (HNBB) compounds. Typical fragment ions obtained in both groups were due to loss of OR′, 2OR′ and NO 2 and due to the cleavage of the CC single bond in HNBB and of the double bond in HNS. In HNS there is a preferential loss of NO. A great similarity was observed between the fragmentation pattern of 2,4,6‐trinitrotoluene (TNT) and that of HNS. In negative‐ion chemical ionization (NCI) the fragment ion which forms the base peak in the mass spectra of the HNS compounds is the [(M/2)+O] − ion, while in the HNBB compounds it is the [M/2] − ion.