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 language | English (US) |
|---|---|
| Pages (from-to) | 83-90 |
| Number of pages | 8 |
| Journal | Journal of Chromatography A |
| Volume | 1086 |
| Issue number | 1-2 |
| DOIs | |
| State | Published - 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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Shellie, R. A., Welthagen, W., Zrostliková, J., Spranger, J., Ristow, M., Fiehn, O., & Zimmermann, R. (2005). Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts. Journal of Chromatography A, 1086(1-2), 83-90. https://doi.org/10.1016/j.chroma.2005.05.088