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

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 Studentʹs t-test statistical approach.