Comprehensive two-dimensional gas chromatography (GCxGC) in combination with high-resolution mass spectrometry (HRMS) is a powerful tool for the analysis of complex mixtures. However, new software tools are required to facilitate the interpretation of the rich information content in GCxGC/HRMS data sets.In this work, we analyzed a dust sample collected from an electronics recycling facility by using GCxGC in combination with a new high-resolution time-of-flight (TOF) mass spectrometer. A composite mass spectrum was created by summing the mass spectra for all components in the GCxGC/HRTOFMS analysis. Halogenated contaminants were readily recognized by their mass defects. The mass defect plots facilitated rapid identification of families of compounds that differ by the number of chlorine and bromine substituents. This approach also helped guide the analysis of the chromatographic data.Mass chromatograms were generated based on specific ions identified in the plots as well as regions of the plots predominantly occupied by halogenated contaminants. Tentative identification of specific contaminants was aided by database searches and elemental composition determinations from the exact-mass data. Software tools that incorporate nontraditional Kendrick mass defect plots greatly enhanced the interpretation of the GCxGCHRTOFMS data. The details of these results will be reported for this presentation.

Analysis of electronics waste by GCxGC combined with high-resolution massspectrometry: Using exact mass information to explore the data

248th National Meeting (2014)

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