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Electron impact, chemical ionization and negative chemical ionization mass spectra, and mass‐analysed ion kinetic energy spectrometry–collision‐induced dissociation fragmentation pathways of some deuterated 2,4,6‐trinitrotoluene (TNT) derivatives
Author(s) -
Yi Jehuda,
Fraisse Daniel,
Dagley Ian J.
Publication year - 1991
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.1210261012
Subject(s) - electron ionization , chemical ionization , ion , fragmentation (computing) , mass spectrometry , chemistry , mass spectrum , collision induced dissociation , ionization , dissociation (chemistry) , deuterium , kinetic energy , analytical chemistry (journal) , tandem mass spectrometry , atomic physics , organic chemistry , chromatography , physics , quantum mechanics , computer science , operating system
Abstract Mass‐analysed ion kinetic energy spectrometry (MIKES) with collision‐induced dissociation (CID) has been used to study the fragmentation processes of a series of deuterated 2,4,6‐trinitrotoluene (TNT) and deuterated 2,4,6‐trinitrobenzylchloride (TNTCI) derivatives. Typical fragment ions observed in both groups were due to loss of OR′ (R′ = H or D) and NO. In TNT, additional fragment ibns are due to the loss of R 2 ′O and 3NO 2 , whilst in TNTCI fragment ions are formed by the loss of OCI and R 2 ′OCI. The TNTCI derivatives did not produce molecular ions. In chemical ionization (Cl) of both groups. MH + ions were observed, with [M – OR′] + fragments in TNT and [M – OCI] + fragments in TNTCI. In negative chemical ionization (NCI) TNT derivatives produced M − ′, [M–R′] − , [M–OR′] − and [M–NO] − ions, while TNTCI derivatives produced [M–R] − , [M–Cl] − and [M – NO 2 ] − fragment ions without a molecular ion.