Metabolomics Databases

  • Biological Magnetic Resonance Data Bank
  • Birmingham Metabolite Library collection of 3328 experimental 1D and 2D J-resolved NMR spectra of 208 metabolite standards.
  • Biological Magnetic Resonance Data Bank: A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
  • Golm Metabolome Database (GMD) Data sets for biologically active metabolites quantified using GC-MS; MS data and text search capabilities.
  • Glycan Mass Spectral Database (GMDB) Database of MS spectra data for N- and O-linked glycans and glycolipids glycans along with their partial chemical structures.
  • Human Metabolome Database (HMDB) Information about small molecule metabolites found in human body; Metabolite data sets containing MS, GC/MS and NMR information; Search and retrieval capabilities for structure, assay and metabolite data sets. Houses MetabLIMS.
  • LIPID MAPS Structure Database (LMSD) The LIPID MAPS Structure Database (LMSD) is comprised of structures and annotations of biologically relevant lipids, and includes representative examples from each category of the LIPID MAPS Lipid Classification System.
  • LIPID MAPS Proteome Database (LMPD) Lipid-associated protein sequences with annotations from UniProt, EntrezGene, ENZYME, GO, KEGG and other public resources. Browse or search by species, lipid class association, and/or keywords.
  • Madison Metabolomics Consortium Database MS and NMR data sets
  • Mass Spectral Library Extensive collection of data sets (EI MS, MS/MS, Replicate spectra, Retention index).
  • MoNA: MassBank of North America MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records
  • mzCloud A database of manually curated and recalibrated high-resolution tandem mass spectra of endogenous metabolites, pharmaceuticals and environmental contaminants acquired using CID and HCD techniques
  • MetabolomeExpress Private and public repository of un-curated/curated metabolomics data; Interactive tools for data visualization, processing and statistical analysis.
  • METLIN: Metabolite and Tandem MS Database Repository of metabolite information and high resolution MS/MS data; Variety of metabolite and MS data search capabilities (MS data search, MS/MS spectral match; Interactive MS spectrum viewer).
  • Spectral Database System (SDBS) Repository of spectral database of organic compound; Variety of data sets (MS, NMR, IR, Raman, ESR).