Development and validation of an isotope dilution ultra-high performance liquid chromatography tandem mass spectrometry method for the reliable quantification of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) and 14 other explosives and their degradation products in environmental water samples.

Abstract A comprehensive method for the determination and characterization of 15 common explosive compounds in water samples by ultra-high pressure liquid chromatography–atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS/MS) is presented. The method allows the determination of 10 nitroaromatics, two nitroamines and three nitrate ester compounds. Among these, 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) was quantified and detected for the first time in our knowledge at trace levels (0.2 µg/L). Furthermore, the collision induced dissociation (CID) mass spectrum of TATB is discussed and a fragmentation mechanism is proposed. The signal for each explosive was normalized by isotopically-enriched congeners used as internal standards. The limits of detection (LOD) reached 20 ng/L, depending on the type of energetic molecule, which are adequate for water samples and the linearity was verified from 1.4 to 2 orders of magnitude. The sensitivity of the UHPLC–APCI-MS/MS approach allows direct injection of aqueous samples without preceding extraction for concentration. Besides, the method displays a good reliability with low signal suppression in various matrices such as spring water, mineral water, acidified water or ground water. The effectiveness of the method is demonstrated by the analysis of underground water samples containing traces of explosives from test fields in France.