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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引用

Dallüge, J., van Stee, L. L. P., Xu, X., Williams, J., Beens, J., Vreuls, R. J. J., & Brinkman, U. A. T. (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.

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

要旨

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.