METLIN
Colin A. Smith, Grace O Maille, Elizabeth J. Want, Chuan Qin, Sunia A. Trauger, Theodore R. Brandon, Darlene E. Custodio, Ruben Abagyan, Gary Siuzdak
Abstract
Endogenous metabolites have gained increasing interest over the past 5 years largely for their implications in diagnostic and pharmaceutical biomarker discovery. METLIN (http://metlin.scripps.edu), a freely accessible web-based data repository, has been developed to assist in a broad array of metabolite research and to facilitate metabolite identification through mass analysis. METLINincludes an annotated list of known metabolite structural information that is easily cross-correlated with its catalogue of high-resolution Fourier transform mass spectrometry (FTMS) spectra, tandem mass spectrometry (MS/MS) spectra, and LC/MS data.