METLIN: a metabolite mass spectral database.
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.
Smith
Colin A
CA
The Scripps Research Institute, Molecular Biology and Center for Mass Spectrometry, La Jolla, California 92037, USA.
O'Maille
Grace
G
Want
Elizabeth J
EJ
Qin
Chuan
C
Trauger
Sunia A
SA
Brandon
Theodore R
TR
Custodio
Darlene E
DE
Abagyan
Ruben
R
Siuzdak
Gary
G
D015415:Biomarkers / Q000032:analysis / Q000737:chemistry / Q000378:metabolism; D002853:Chromatography, Liquid; D019992:Databases as Topic; D006801:Humans; D013058:Mass Spectrometry; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000032:analysis / Q000737:chemistry / Q000378:metabolism; D017550:Spectroscopy, Fourier Transform Infrared
D015415:Biomarkers; D004364:Pharmaceutical Preparations