Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts

Robert A. Shellie, Werner Welthagen, Jitka Zrostliková, Joachim Spranger, Michael Ristow, Oliver Fiehn, Ralf Zimmermann

Research output: Contribution to journalArticle

126 Scopus citations

Abstract

The potential for the utilization of GC × GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.

Original languageEnglish (US)
Pages (from-to)83-90
Number of pages8
JournalJournal of Chromatography A
Volume1086
Issue number1-2
DOIs
StatePublished - Sep 9 2005

Keywords

  • Data processing
  • Gas chromatography, comprehensive two-dimensional
  • Mass spectrometry, time-of-flight
  • Metabolomics

ASJC Scopus subject areas

  • Analytical Chemistry

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