Unravelling the composition of very complex samples by comprehensive gas 
chromatography coupled to time-of-flight mass spectrometry - Cigarette smoke

Dallüge, J.; van Stee, L. L. P.; Xu, X.; Williams, J.; Beens, J.; Vreuls, R. J. J.; Brinkman, U. A. Th.

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Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry - Cigarette smoke

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Xu, X.
Atmospheric Chemistry, Max Planck Institute for Chemistry, Max Planck Society;

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Williams, J.
Atmospheric Chemistry, Max Planck Institute for Chemistry, Max Planck Society;

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Citation

Dallüge, J., van Stee, L. L. P., Xu, X., Williams, J., Beens, J., Vreuls, R. J. J., et al. (2002). Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry - Cigarette smoke. Journal of Chromatography A, 974(1-2), 169-184.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-9070-6

Abstract

The potential and current limitations of comprehensive two- dimensional gas chromatography coupled to time-of-flight mass spectrometry (GCxGC-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 GCxGC 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 30 000 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 GCxGC-TOF-MS system and the deconvolution algorithm provide a system with a most impressive separation power. (C) 2002 Elsevier Science B.V. All rights reserved.