Published October 28, 2021
| Version 1.0
Dataset
Open
ISDB: In Silico Spectral Databases of Natural Products
Creators
- 1. University of Fribourg
- 2. University of Illinois at Chicago
Description
An In Silico spectral DataBase (ISDB) of natural products initially calculated from the Universal Natural Products Database (UNPD).
This spectral file is in positive ionisation mode only. Fragmented using cfm-predict 2.0 https://sourceforge.net/projects/cfm-id/
Originally described in Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication https://doi.org/10.1021/ACS.ANALCHEM.5B04804
See http://oolonek.github.io/ISDB/ for associated scripts
Files
Files
(459.7 MB)
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md5:2ce1d82a8fb92032ca1cccdb09ffe0ce
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459.7 MB | Download |