METLIN: A Metabolite Mass Spectral Database

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

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.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Biomarkers / analysis
  • Biomarkers / chemistry
  • Biomarkers / metabolism
  • Chromatography, Liquid
  • Databases as Topic*
  • Humans
  • Mass Spectrometry*
  • Molecular Structure
  • Pharmaceutical Preparations / analysis
  • Pharmaceutical Preparations / chemistry
  • Pharmaceutical Preparations / metabolism
  • Spectroscopy, Fourier Transform Infrared

Substances

  • Biomarkers
  • Pharmaceutical Preparations