Mass spectral fragmentation pathways in 1,3,3-trinitroazetidine
Date of Original Version
The electron impact (EI) fragmentation pathways of 1,3,3-triniboazetidine (TNAZ) along with some 15N and 2H analogs were studied. Collision-induced dissociation was also used to investigate important peaks in the EI spectra. Isotopically labeled compounds allowed the determination of most of the major fragmentation peaks. It was found that the major pathway involves the loss of NO2 or HNO2 from the dinitroalkyl group followed-by a loss of NO2 or NO from the nitramine group. The peak at m/z 46, [NO2]+, the base peak, resulted primarily from N - N bond scission while the peak at m/z 30, [NO]+, was equally likely to come from any NO2 bond. The fragmentation pathway of TNAZ showed similarities with other nitramine and nitrocarbon explosives.
Journal of Mass Spectrometry
Zheng, Weiyi, Evan Rogers, Michael Coburn, Jimmie Oxley, and James Smith. "Mass spectral fragmentation pathways in 1,3,3-trinitroazetidine." Journal of Mass Spectrometry 32, 5 (1997): 525-532. doi:10.1002/(SICI)1096-9888(199705)32:5<525::AID-JMS505>3.0.CO;2-7.