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

Shellie, R. A.; Welthagen, W.; Zrostlikova, J.; Spranger, J.; Ristow, M.; Fiehn, O.; Zimmermann, R.

doi:10.1016/j.chroma.2005.05.088

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

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Fiehn, O.
Metabolomic Analysis, Department Willmitzer, Max Planck Institute of Molecular Plant Physiology, Max Planck Society;

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Citation

Shellie, R. A., Welthagen, W., Zrostlikova, J., Spranger, J., Ristow, M., Fiehn, O., et al. (2005). Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts. In 2nd International Symposium on Comprehensive Multidimensional Gas Chromatography (pp. 83-90).

Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-2B1A-C

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. (c) 2005 Elsevier B.V. All rights reserved.