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Table 6.1 MS/MS-CID Data of TNT Isomers
Parent Ion Daughter Ions Tentative
m/z ion m/z % Identification
2,4,6-TNT
227 M – 210 100 [M – OH]–
197 48 [M – NO] –
181 5 [M – NO 2 ] –
167 4 [M – 2NO] –
151 5 [M – NO 2 – NO] –
137 13 [M – 3NO] –
2,4,5-TNT
227 M – 197 100 [M – NO] –
181 2 [M – NO 2 ] –
2,3,5-TNT
227 M – 197 100 [M – NO] –
3,4,5-TNT
227 M – 197 49 [M – NO] –
181 100 [M – NO 2 ] –
2,3,6-TNT
227 M – 197 100 [M – NO] –
181 10 [M – NO 2 ] –

2,3,4-TNT
227 M – 197 60 [M – NO] –
181 100 [M – NO] –
151 3 [M – 2NO] –
Source: Reprinted from Zhao, X. and Yinon, J., Characteriza-
tion and origin identification of 2,4,6-trinitrotoluene
through its by-product isomers by liquid chromatography-
atmospheric pressure chemical ionization mass spectrome-
try, J. Chromatogr. A, 946, 125, 2002. Copyright 2002, with
permission from Elsevier Science.

Characterization and origin identification of explosives is important in
forensic analysis of postexplosion residues. In addition to the type of explo-
sive used in a bombing, the investigators would like to know its country of
origin and, especially, its manufacturer. Each manufacturer produces explo-
sives with characteristic differences in the type and amount of byproducts,
impurities, and additives, depending on the purity of the raw materials and
solvents used and the type of manufacturing process, thus resulting in a
characteristic profile of byproducts, organic impurities, and additives.
The production process of TNT includes toluene formation from ben-
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zene and methanol, followed by three steps of nitration: from toluene to
© 2004 by CRC Press LLC