SYNTHESIS AND HIGH-RESOLUTION MASS-SPECTRAL ANALYSIS OF ISOTOPICALLY LABELED 2,4,6-TRINITROTOLUENE.

Article abstract of DOI:10.1021/je00035a030

The high-resolution electron impact spectra of 2,4,6-trinitrotoluene (TNT) and its **2H and **1**5N isotopic derivatives have been determined. 2,4,6-Trinitrotoluene loses an OH group to form the major ion, m/e 210, which undergoes various fragmentation reactions. The parent ion of 2,4,6-trinitrotoluene, m/e 227, loses three NO//2 groups to form the second most abundant ion, C//7H//5** plus , which then rearranges to form a tropylium-like ion. The C//7H//5** plus species then undergoes loss of C//2H//2 to form C//5H//3** plus , in a manner similar to tropylium.