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Ther Drug Monit. 2005 Dec;27(6):747-51.

METLIN: a metabolite mass spectral database.

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  • 1The Scripps Research Institute, Molecular Biology and Center for Mass Spectrometry, La Jolla, California 92037, USA.

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.

PMID:
16404815
[PubMed - indexed for MEDLINE]
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