DSP: Storage > Processing > Statistics > Identification > Interpretation
Metitree
MetItree is a repository, in a prototype stage, of mass spectra of small chemical compounds for life science (<2000 Da). The database will contain MSn data acquired on different platforms by different research groups. MSn data will be annotated with chemical information about the fragments. MetItree is started by the Netherlands Metabolomics Center as a project to help in the elucidation or identification of the chemical compounds.
Metitree - www.metitree.nl
MetiDB
The goal of the MetIDB project is to allow users to identify metabolites in their NMR spectra by comparing their spectrum with a reference database of predicted NMR spectra. This reference database of NMR spectra was generated for a large set of flavonoid metabolites at the Wageningen University. The NBIC BRS team offered support in storing this data set efficiently and making it searchable for the end user. The end result is an attractive web interface which allows the user to filter and search metabolites in a variety of ways. Central to the metabolite identification process is the spectrum search method, which asks the user to enter their NMR shifts and experimental conditions. Using these settings their spectrum is matched against NMR spectra predicted under similar conditions, which results in a list of hits and their correspondence to the user’s NMR spectrum. The user is able to download and compare the resulting hits with their own spectrum to come to a positive identification. To supplement the spectrum search a number of additional search and filter methods are offered.
MetiDB - www.metidb.org
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