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Metabolomics Database

Metabolomics is a data intensive discipline whose workflow is characterized by extensive use of databases. Database applications range from compound identification (e.g. exact mass, GC-EI spectrum or MS/MS spectrum comparison) to data integration and visualization (assignment of compounds to reactions, pathways, cell compartments, etc.). The following list serves as a link collection of useful databases for metabolomics and related fields.

 

  • NIST/EPA/NIH Mass Spectral Library

Comprehensive mass spectral library containing over 190,000 EI spectra. Includes sub-libraries with MS/MS and retention index data. Commercial.

http://www.nist.gov/srd/nist1a.cfm

 

  • FiehnLib

Metabolite database containing EI spectra of ~1000 conserved metabolites. GC-quadrupole and GC-TOF versions. Commercial.

http://fiehnlab.ucdavis.edu/projects/FiehnLib/index_html

 

  • Golm Metabolome Database

Metabolite database containing EI spectra of ~1000 conserved metabolites. Freely available.

http://gmd.mpimp-golm.mpg.de

 

  • METLIN

Metabolite and Tandem MS Database containing ~43,000 metabolites and ~22,000 MS/MS spectra. Commercial.

http://metlin.scripps.edu

 

  • MassBank

Comprehensive, high-resolution mass spectra of metabolites. Freely accessible.

http://www.massbank.jp

 

  • BioCyc

Collection of pathway and genome databases. Freely accessible.

http://www.biocyc.org

 

  • KEGG

Collection of pathways and interaction networks. Freely accessible.

http://www.genome.jp/kegg

 

  • BRENDA

Comprehensive enzyme database. Freely accessible.

http://www.brenda-enzymes.org

 

 

 


 
Contact

Center for Biological Systems Analysis

University of Freiburg

 

  • Address:

    Habsburgerstr. 49
    79104 Freiburg
    Germany
 
  • Delivery entrance:

    Hauptstr. 1
    79104 Freiburg
 

 

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