Characterization and origin identification of 2,4,6-trinitrotoluene through its by-product isomers by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.

The by-products of industrial 2,4,6-trinitrotoluene (TNT), including isomers of trinitrotoluene, dinitrotoluene, trinitrobenzene and dinitrobenzene were investigated using liquid chromatography-mass spectrometry (LC-MS), in order to build a profile for the characterization of TNT samples from various origins. LC-MS with atmospheric pressure chemical ionization, in the negative-ion mode, was found to be the most suitable method for this study. The characterization of TNT by the by-product profile was demonstrated on a variety of TNT samples.