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

Abstract

AbstractMass‐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 R2′O and 3NO2, whilst in TNTCI fragment ions are formed by the loss of OCI and R2′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 – NO2]− fragment ions without a molecular ion.