by
BillW » Sat Oct 13, 2007 5:13 pm
It depends what you mean by "metabolomics", and what the goal of the experiment is. For a targeted, or semi-targeted study, the vendor software should be sufficient. For a general metabolomics approach, specific software in addition to vendor software is probably necessary.
For GC/MS deconvolution for metabolomics, the program AMDIS, developed at NIST, is pretty much the standard for data analysis.
http://chemdata.nist.gov/mass-spc/amdis/
You can look at the publications of T. Moritz and O. Fiehn, both of whom use GC/MS as their primary tool for metabolomics. Although they are using a GC-TOF, a quad should be sufficient for most purposes.
It is certainly worth considering an LC/MS approach to metabolomics in combination to the GC/MS approach.
Bill Wikoff