J Chromatogr A. 2005 Sep 9;1086(1-2):83-90.

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

Shellie RA, Welthagen W, Zrostliková J, Spranger J, Ristow M, Fiehn O, Zimmermann R.

Source

Max Planck Institute of Molecular Plant Physiology, Potsdam-Golm, Germany.

Abstract

The potential for the utilization of GC x 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.

PMID:: 16130658; [PubMed - indexed for MEDLINE]

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