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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
journal contributionposted on 2023-05-16, 17:07 authored by Robert ShellieRobert Shellie, Welthagen, W, Zrostlikova, J, Spranger, J, Ristow, M, Fiehn, O, Zimmermann, R
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.
Publication titleJournal of Chromatography A
Department/SchoolSchool of Natural Sciences
Place of publicationAmsterdam