Untargeted metabolomics by GC-MS (EI only)
Relative comparison of GC-MS fingerprints for samples belonging to two or more classes (e.g. diseased vs. normal) incudes raw data alignment & tentative identification of peak(s) responsible for distinguishing classes.
Note: Min. #samples ~30-50 per class, please discuss
Note: primary uses are diagnostic model or a first step towards custom targeted analysis