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Open Access Green as soon as Postprint is submitted to ZB.
Automated compound classification for ambient aerosol sample separations using comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry.
J. Chromatogr. A 1150, 2-12 (2007)
Comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC × GC–TOF-MS) is useful in analyzing complex samples, such as the semi-volatile organic compounds (SVOC) in daily aerosol samples collected in Augsburg, Germany. For efficient routine analysis, a partial classification system based on mass spectra has been proposed to group compounds into substance classes. Classifiers based on fragmentation patterns, retention time, and spectral transformations are incorporated into software scripts for automated classification. Fragmentation pattern rules are also applied to an aerosol sample analyzed using direct thermal desorption (DTD)–GC × GC–TOF-MS and a non-traditional column combination.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Gas chromatography; Comprehensive two-dimensional; Compound classification; Chemometric data processing; Aerosols; Environmental particles; Time-of-flight mass spectrometry
ISSN (print) / ISBN
0021-9673
e-ISSN
1873-3778
Journal
Journal of Chromatography A
Quellenangaben
Volume: 1150,
Issue: 1-2,
Pages: 2-12
Publisher
Elsevier
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Institute of Ecological Chemistry (IOEC)
Cooperation Group Comprehensive Molecular Analytics (CMA)
Cooperation Group Comprehensive Molecular Analytics (CMA)