Mass Spectral Fragmentation Pathways in 1,3,3-Trinitroazetidine

✍ Scribed by Zheng, Weiyi; Rogers, Evan; Coburn, Michael; Oxley, Jimmie; Smith, James

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 423 KB
• Volume: 32
• Category: Article
• ISSN: 1076-5174
• DOI: 10.1002/(sici)1096-9888(199705)32:5<525::aid-jms505>3.0.co;2-7

✦ Synopsis

The electron impact (EI) fragmentation pathways of 1,3,3-trinitroazetidine (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 or from the dinitroalkyl group followed by a loss of NO 2 HNO 2 NO 2 or NO from the nitramine group. The peak at m/z 46, the base peak, resulted primarily from NÈN [ NO 2 ] ', bond scission while the peak at m/z 30, [ NO ] ', was equally likely to come from any bond. The fragmenta-NO 2 tion pathway of TNAZ showed similarities with other nitramine and nitrocarbon explosives.