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Mass spectral fragmentation pathways in 2,4,6‐trinitrotoluene derived from a MS/MS unimolecular and collisionally activated dissociation study
Author(s) -
Robert Carper W.,
Cameron Dorey R.,
Tomer Kenneth B.,
Crow Frank W.
Publication year - 1984
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210191207
Subject(s) - fragmentation (computing) , chemistry , dissociation (chemistry) , tandem mass spectrometry , collision induced dissociation , trinitrotoluene , mass spectrometry , tandem , isotope , analytical chemistry (journal) , chromatography , organic chemistry , materials science , physics , quantum mechanics , computer science , composite material , explosive material , operating system
The fragmentation pathways of 2,4,6‐trinitrotoluene have been examined using 15 N and 2 H isotopic labelling in conjunction with tandem mass spectrometry. Both the unimolecular and collisionally activated decomposition modes were investigated. Fragmentation pathways were established in both modes and isotopic shifts were used to determine the groups lost. The major pathways include the loss of OH or H 2 O, followed by the subsequent loss of NO or NO 2 . There is virtually no ring disintegration until the majority of the attached groups are lost.