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Selektive Detektion von Substanzklassen bei GC/MS-Analysen mit einem chemometrischen Detektor

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Software-Entwicklung in der Chemie 2

Abstract

Selective Detection of Chemical Classes in GC/MS-Analyses by Using a Chemometric Detector.

Chemometric methods are applied to series of mass spectra for classifying each spectrum to determine whether it belongs to a certain class of chemical compounds. The result is a chromatogram as it would be obtained by a selective detector. Selectivity can be changed and adjusted by software. The method is illustrated by examples for the selective detection of polychlorinated biphenyls and polycyclic aromatic hydrocarbons in complex mixtures.

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© 1988 Springer-Verlag Berlin Heidelberg

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Varmuza, K., Lohninger, H., Werther, W. (1988). Selektive Detektion von Substanzklassen bei GC/MS-Analysen mit einem chemometrischen Detektor. In: Gasteiger, J. (eds) Software-Entwicklung in der Chemie 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-73283-6_18

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  • DOI: https://doi.org/10.1007/978-3-642-73283-6_18

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-18696-0

  • Online ISBN: 978-3-642-73283-6

  • eBook Packages: Springer Book Archive

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