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gas chromatography
comprehensive two-dimensional
mass spectrometry
time-of-flight
metabolomics
data processing
suspected allergens
quantitation
metabolites
networks
systems
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.
