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. 2005 Dec;27(6):747-51.
doi: 10.1097/01.ftd.0000179845.53213.39.

METLIN: a metabolite mass spectral database

Colin A Smith  1 , Grace O'Maille, Elizabeth J Want, Chuan Qin, Sunia A Trauger, Theodore R Brandon, Darlene E Custodio, Ruben Abagyan, Gary Siuzdak
Affiliations

METLIN: a metabolite mass spectral database

Colin A Smith et al. Ther Drug Monit. 2005 Dec.

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.

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