ISDB: In Silico Spectral Databases of Natural Products
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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 <em>Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication</em> https://doi.org/10.1021/ACS.ANALCHEM.5B04804 See http://oolonek.github.io/ISDB/ for associated scripts
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Zenodo创建时间：
2021-10-28
