Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry. Cigarette smoke |
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Authors: | Dallüge Jens van Stee Leo L P Xu Xiaobin Williams Jonathan Beens Jan Vreuls René J J Brinkman Udo A Th |
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Institution: | Department of Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit, de Boelelaan 1083, 1081 HV Amsterdam, Netherlands. acas@chem.vu.nl |
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Abstract: | The potential and current limitations of comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC-TOF-MS) for the analysis of very complex samples were studied with the separation of cigarette smoke as an example. Because of the large number of peaks in such a GC x GC chromatogram it was not possible to perform manual data processing. Instead, the GC-TOF-MS software was used to perform peak finding, deconvolution and library search in an automated fashion; this resulted in a peak table containing some 30000 peaks. Mass spectral match factors were used to evaluate the library search results. The additional use of retention indices and information from second-dimension retention times can substantially improve the identification. The combined separation power of the GC x GC-TOF-MS system and the deconvolution algorithm provide a system with a most impressive separation power. |
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