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METLIN - a metabolite mass spectral database

Academic Article
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Overview

authors

  • Smith, C. A.
  • O'Maille, G.
  • Want, E. J.
  • Qin, C.
  • Trauger, S. A.
  • Brandon, T. R.
  • Custodio, D. E.
  • Abagyan, R.
  • Siuzdak, Gary

publication date

  • 2005

journal

  • Therapeutic Drug Monitoring  Journal

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.

webpage

  • METLIN

subject areas

  • Biomarkers
  • Chromatography, Liquid
  • Databases as Topic
  • Humans
  • Mass Spectrometry
  • Molecular Structure
  • Pharmaceutical Preparations
  • Spectroscopy, Fourier Transform Infrared
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Research

keywords

  • FTMS
  • LC/MS
  • METLIN
  • MS/MS
  • database
  • metabolites
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Identity

International Standard Serial Number (ISSN)

  • 0163-4356

Digital Object Identifier (DOI)

  • 10.1097/01.ftd.0000179845.53213.39

PubMed ID

  • 16404815
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Additional Document Info

start page

  • 747

end page

  • 751

volume

  • 27

issue

  • 6

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