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Automated processing of GC/MS data: quantification of the signals of individual components

✍ Scribed by Pool, Wim G.; Maas, Leo R. M.; de Leeuw, Jan W.; van de Graaf, Bastiaan

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 258 KB
Volume: 32
Category: Article
ISSN: 1076-5174
DOI: 10.1002/(sici)1096-9888(199711)32:11<1253::aid-jms593>3.0.co;2-t

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✦ Synopsis

An algorithm is described to quantify the signals of components in GC/MS data. It is an extension of the backfolding algorithm described recently. [ W. G. Pool, B. van de Graaf and J. W. de Leeuw, J. Mass. Spectrom. 31, 509 (1996) ; 32, 438 (1997) ] . The method is evaluated on both simulated and real GC/MS data. The results indicate that the method performs quite well, even in cases of components with highly similar spectra and with severe coelution.

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