The Bruker HMDB Metabolite Library 2.0 facilitates the identification of metabolites in (human) metabolomics research. Main Features:
- Contains more than 6000 MS and MS/MS spectra as well as meta information from >800 reference standards from the ''Human Metabolome Database HMDB'' (http://www.hmdb.ca/)
- Covers metabolites found in urine, blood, other biofluids and cell extracts
- Acquired on Bruker impact series QTOF high resolution MS using varying collision energies (CE) of 10, 20, 30, 40 eV and 20-50 eV
- Spectra measured in ESI positive, negative, or both modes
- Manually inspected to remove noisy spectra as well as contaminant peaks
- Meta information includes InCHi, SMILES, CAS ID, Synonyms, as well as database IDs and hyperlinks to HMDB, PubChem, ChemSpider, ChEBI, BioCyc and others
- For > 600 metabolites, retention times are provided for the ''T-ReX LC-QTOF solution'' workflow
Additionally available:
Additional ressources:
