From: Metabolomic analyses for atherosclerosis, diabetes, and obesity
Link of the databases | Teams or specificity | Numbers of metabolites | Data included |
---|---|---|---|
BML-NMR ( http://www.bml-nmr.org) | The Birmingham Metabolite Library Nuclear Magnetic Resonance (NMR) database | 3,328 NMR*1 spectra of 208 common metabolite standards. | 2-D 1HJ*2 -resolved spectra and 1-D 1H spectra |
The central repository for experimental NMR spectral data, primarily for macromolecules | ~500 molecules | Structures, structure viewing applets, nomenclature data, extensive 1D and 2D spectral peak lists, raw spectra and FIDs | |
Fiehn GC-MS Database ( http://fiehnlab.ucdavis.edu/Metabolite-Library-2007/) | The library contains data on compounds for which GC/MS data have been collected | 713 compounds | Name, structure, CAS ID*3 of compounds; Spectra and retention indices of GC/MS data |
Golm Metabolome Database ( http://gmd.mpimp-golm.mpg.de/) | A public access to custom GC/MS libraries | n/a | Mass spectral and retention time index libraries |
HMDB ( http://www.hmdb.ca) | Human Metabolome Database; | More than 6,500; | Chemical data; Clinical data; Molecular Biology/Biochemistry data |
Small molecule metabolites | Link to ~ 1,500 protein and DNA sequences | ||
Massbank ( http://www.massbank.jp/) | A mass spectral database of experimentally acquired high resolution MS spectral of metabolites | >13,000 spectra from 1,900 different compounds | Very detailed MS data and excellent spectral/structure searching utilities |
Metlin ( http://metlin.scripps.edu/index.php) | A repository for mass spectra metabolite data | 15,000 structures including more than 8,000 di and tripeptides | MS/MS, LC/MS *4 and FTMS*5 data |
MMCD ( http://mmcd.nmrfam.wisc.edu/) | The Madison Metabolomics Consortium Database (MMCD) | ~10,000 metabolite entries; experimental spectral data on ~500 compounds | Chemical formula, names and synonyms, structure, physical and chemical properties; NMR and MS data of compounds, NMR chemical shifts, etc. |