Rapid Quantitative Analysis of Multiple Explosive-Compound Classes on a Single Instrument via Flow-Injection Analysis Tandem Mass Spectrometry

A flow injection analysis (FIA) tandem mass spectrometry (MSMS) method was developed for rapid quantitativeanalysis of 10 different inorganic and organic explosives. Performance is optimized by tailoring the ionization method,declustering potentials, and collision energies for each specific analyte. In doing so, a single instrument can be used to detecturea nitrate (UN), potassium chlorate (PC), 2,4,6-trinitrotoluene (TNT), 2,4,6-trinitrophenylmethylnitramine (tetryl), triacetonetriperoxide (TATP), hexamethylene triperoxide diamine (HMTD), pentaerythritol tetranitrate (PETN), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), nitroglycerin (NG) and octohydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) withsensitivities all in the picogram per milliliter range. Atmospheric-pressure chemical-ionization (APCI) was used for all of theexplosives except for UN and PC, where the best sensitivity was achieved using electrospray ionization (ESI). The use ofMSMS mode targeting both precursor and fragment ions provides for two-dimensional separations, thereby eliminating theneed for chromatography, even in complex matrices. By obviating the need for chromatography, the total analysis time isreduced to less than one minute per sample whereas the inter-day and intra-day relative standard deviations of 5% and10%, respectively, compare favorably to existing methods. Use of a single instrument for detection of multiple explosiveclasses also reduces the instrumentation capital cost and footprint for forensic-quality explosives detection. In conclusion,FIA APCI/ESI MSMS is a fast (1 min/sample), sensitive (pg/mL LOQ), and precise (intraday RSD10%) method fortrace explosive detection that can play an important role in criminal and attributional forensics, counterterrorism and environmentalprotection areas, and has the potential to augment or replace several of the existing explosive detection methods. TrAC Trends in Analytical Chemistry , 01 Jan 0001, 01 Jan 0001,