The Bruker MetaboBASE® Personal Library 3.0 has been generated in collaboration with Professor Gary Siuzdak of The Scripps Center for Metabolomics, La Jolla, California, USA.
Main Features:
- MS/MS spectra from more than 100,000 endogenous metabolites, pesticides, drugs and other chemical entities
- Obtained from synthetic or isolated standards derived from the well-known METLINTM compound library (METLIN is a trademark of The Scripps Research Institute.)
- Measured in both positive and negative ionization modes at multiple collision energies
- Meta data includes InCHi, SMILES, CAS identifiers, synonyms, and hyperlinks to external databases including HMDB, and PubChem
- Contains ~ 700.000 in-silico generated MS/MS spectra for more than 233.000 compounds (compatible with MetaboScape > 4.0)
