METLIN—a metabolite mass spectral database
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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The human metabolome contains at least 50,000 different detectable compounds.
“Minimally, the human metabolome contains 50,000 different detectable compounds (9,63), but as instrument sensitivity and separation technologies improve, this number is expected to increase.”
From The food metabolome: a window over dietary exposure (2014) · cites this paper as [63]
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- Authors
- Smith, C. A., Maille, G. O., Want, E. J., Qin, C., Trauger, S. A., Brandon, T. R., Custodio, D. E., Abagyan, R., & Siuzdak, G.
- Affiliations
- Scripps Research Institute (US)
- Venue
- Therapeutic Drug Monitoring
- Published
- 2005-12
- Volume
- 27
- Issue
- 6
- Pages
- 747-751
- ISSN
- 0163-4356 (ISSN-L)
- OpenAlex
- W2084375915
- Cited by
- 2,226
- References
- 0
- Citations by year
- 2026: 84 · 2025: 86 · 2024: 129 · 2023: 97 · 2022: 179 · 2021: 168 · 2020: 156 · 2019: 153 · 2018: 178 · 2017: 163 · 2016: 167 · 2015: 142 · 2014: 149 · 2013: 116 · 2012: 81
- FWCI
- 5.77
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Therapeutic Drug Monitoring (publishedVersion)
- PubMed (publishedVersion)
- Funders
- National Institutes of Health (5p30ey012598-05)
- National Eye Institute (5P30 EY012598-04, 5R24EY01474-04)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Physical Sciences › Chemistry › Spectroscopy › Mass Spectrometry Techniques and Applications
- Physical Sciences › Chemistry › Spectroscopy › Advanced Proteomics Techniques and Applications
- Keywords
- endogenous metabolites, metabolite identification, LC-MS data, biomarker discovery
- MeSH terms
- Chromatography, Liquid, Pharmaceutical Preparations, Humans, Mass Spectrometry, Molecular Structure, Biomarkers, Spectroscopy, Fourier Transform Infrared, Databases as Topic
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