METLIN

METLIN provides a curated repository of high-resolution mass spectrometry spectra and annotated metabolite structures to support identification of endogenous metabolites and biomarker discovery.

Key Features:

• Mass Spectrometry Data Repository: Houses high-resolution Fourier transform mass spectrometry (FTMS) spectra, tandem mass spectrometry (MS/MS) spectra, and liquid chromatography-mass spectrometry (LC/MS) data.
• Annotated Metabolite Information: Contains annotated metabolite entries with structural information cross-referenced to spectral data.
• Multiple Search Capabilities: Enables searching by precursor ion, neutral loss, accurate mass, and product ions.

Scientific Applications:

• Endogenous Metabolite Identification: Supports identification of endogenous metabolites through spectral matching.
• Biomarker Discovery: Facilitates discovery of diagnostic biomarkers using mass spectrometry data.
• Pharmaceutical Research: Supports identification of pharmaceutical biomarkers relevant to drug development and personalized medicine.

Methodology:

Generation and curation of high-resolution spectra using Fourier transform mass spectrometry (FTMS), tandem mass spectrometry (MS/MS), and liquid chromatography-mass spectrometry (LC/MS).