Mass spectral fragmentation pathways in reduction metabolites of 2,4-dinitrotoluene and 2,4,6-trinitrotoluene. A tandem mass spectrometric collision induced dissociation study

A collision induced dissociation study of a series of reduction metabolites of 2,4-dinitrotoluene and 2,4,6-trinitrotoluene was carried out using a tandem BB mass spectrometer. Fragmentation pathways of the metabolites were determined in the electron impact mode. It was found that the dominant fragmentation pathway is loss of OH^˙ due to an ortho effect. Other fragmentation routes include loss of NO₂˙ and loss of CH₂N˙.