Application of Spectra Accuracy for Analysis of Organic Explosive: 2,4,6-trinitrotoluene by AccuTOF-DART

This paper, through mass spectrometric (MS) analysis for nitro compound explosives on a direct analysis in a real-time time-of-flight MS, indicates that even on a high-resolution MS with accurate mass measurement capabilities, there is no guarantee to obtain the unique molecular formula of a compound. By calculating spectra accuracy, highly accurate isotope pattern matching can be conducted to significantly improve performance of compound confirmation or identification.