For the analysis of complex samples such as diesel fuel, comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC � GC-TOFMS) is applied in conjunction with statistical data mining techniques to assess the differences between diesel fuels in well-defined sample classes. We have developed and applied this technology platform for the forensics analysis of diesel fuel that has been altered, hence making recognizable the subtle and significant changes in the chemical signature of diesel fuel that can be used for diagnostics. The data mining technique we have been developing and applying is the Fisher-ratio (F-ratio) method, to sift through all of the mass channels at each 2D chromatographic location in order to find locations of marker compounds that represent differences between the diesel fuel sample classes. These locations are referred to as hits, and a hit list is produced, from highest F-ratio to lowest, and data mining starts with the highest hit value location. The data corresponding to each hit is subsequently subjected, in hit order, to Parallel Factor Analysis (PARAFAC) for deconvolution, identification and quantification of the differentiating marker compounds at each 2D chromatographic location. The marker compounds can be used for forensic diagnostic purposes. It will be demonstrated how this analytical platform is very successful at finding robust marker compounds at the low ppm concentration level.*This work was supported by the Internal Revenue Service (IRS) under an Interagency Agreement with the US Department of Energy (DOE) under Contract DE-AC05-76RLO 1830 with the Pacific Northwest National Laboratory. Battelle Memorial Institute operates the Pacific Northwest National Laboratory.

Forensic analysis of diesel using comprehensive 2D gas chromatography with time-of-flight mass spectrometry detection

246th National Meeting (2013)

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