Electron impact fragmentation mechanisms of 2,4,6‐trinitrotoluene derived from metastable transitions and isotopic labeling

Abstract

Abstract Precursors of the major ions in the electron impact spectrum of 2,4,6‐trinitrotoluene have been determined by observations of metastable peaks and isotope shifts. In 2,4,6‐trinitrotoluene with adjacent CH 3 and NO 2 groups, the facile transfer of a methyl hydrogen to oxygen followed by loss of an OH group gives rise to the m/z 210 ion which plays a key role in the six important fragmentation sequences that have been identified. A similarity of the reactions in the mass spectrometer to the decomposition pathways induced by other stimuli has been observed.