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METLIN: a metabolite mass spectral database.

Colin A Smith¹, Grace O'Maille, Elizabeth J Want

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

Therapeutic Drug Monitoring

|January 13, 2006

Summary

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METLIN is a free online database that helps researchers identify metabolites. It provides structural information and mass spectrometry data for biomarker discovery and pharmaceutical research.

Area of Science:

Metabolomics
Biochemistry
Analytical Chemistry

Background:

Endogenous metabolites are increasingly important for biomarker discovery in diagnostics and pharmaceuticals.
Metabolite identification is crucial for understanding biological processes and disease states.

Purpose of the Study:

To introduce METLIN, a freely accessible web-based data repository for metabolite research.
To facilitate metabolite identification using mass spectrometry data.

Main Methods:

Developed METLIN, a comprehensive online database.
Integrated annotated metabolite structural information.
Cross-correlated data with high-resolution Fourier transform mass spectrometry (FTMS), tandem mass spectrometry (MS/MS), and LC/MS spectra.

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Main Results:

METLIN provides a freely accessible resource for metabolite research.
The database facilitates metabolite identification through mass analysis.
Includes annotated structural information and diverse mass spectrometry data.

Conclusions:

METLIN serves as a valuable tool for researchers in metabolomics and related fields.
The repository aids in the discovery and identification of diagnostic and pharmaceutical biomarkers.
Facilitates metabolite research through integrated structural and spectral data.