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ISDB (In-Silico MS/MS DataBase)

A database of in-silico predicted MS/MS spectra of 170 602 Natural Products from the Universal Natural Products Database (http://pkuxxj.pku.edu.cn/UNPD/index.php)

A binary version of Tremolo (for Linux 64bits) is also distributed. Documentation is available at http://proteomics.ucsd.edu/software-tools/tremolo/

ISDB was published in: Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication. Allard PM, Péresse T, Bisson J, Gindro K, Marcourt L, Pham VC, Roussi F, Litaudon M, Wolfender JL. Anal Chem. 2016 Mar 15;88(6):3317-23. doi: 10.1021/acs.analchem.5b04804. Epub 2016 Mar 1. PMID: 26882108