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Comparison of two algorithmic data processing strategies for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry

Almstetter, Martin F., Appel, Inka, Dettmer, Katja, Gruber, Michael and Oefner, Peter J. (2011) Comparison of two algorithmic data processing strategies for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. Journal of chromatography A 1218 (39), pp. 7031-7038.

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Abstract

The alignment algorithm Statistical Compare (SC) developed by LECO Corporation for the processing of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS) data was validated and compared to the in-house developed retention time correction and data alignment tool INCA (Integrative Normalization and Comparative Analysis) by a spike-in experiment and the ...

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Item type:Article
Date:September 2011
Institutions:Medicine > Lehrstuhl für Anästhesiologie
Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Statistische Bioinformatik (Prof. Spang)
Identification Number:
ValueType
21871627PubMed ID
10.1016/j.chroma.2011.08.006DOI
Classification:
NotationType
AlgorithmsMESH
Data MiningMESH
Escherichia coli/metabolismMESH
Escherichia coli Proteins/metabolismMESH
Gas Chromatography-Mass Spectrometry/methodsMESH
Metabolome/physiologyMESH
Metabolomics/methodsMESH
Multivariate AnalysisMESH
Principal Component AnalysisMESH
ROC CurveMESH
SoftwareMESH
Keywords:Alignment; Data mining; GC × GC–TOFMS; Metabolic fingerprinting; Metabolomics; Spike-in experiment
Dewey Decimal Classification:500 Science > 500 Natural sciences & mathematics
500 Science > 570 Life sciences
600 Technology > 610 Medical sciences Medicine
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:30621
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