METLIN is a database system for metabolite identification by mass spectrometry. An article on the technique, XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification, just came out in the Analytical Chemistry. Software binaries are available for Windows and Mac OS X.
Mass spectrometry websites, social media, journal feeds, and other links and items of interest to the mass spectrometry community.