Published May 4, 2017
| Version v1
Dataset
Open
MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra
Creators
- 1. University of Antwerp
- 2. Janssen Research & Development
- 3. Hasselt University
Description
Data set associated with:
Mrzic, A. et al. MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra. bioRxiv (2017). doi:10.1101/134189
This data set is provided by Janssen Pharmaceutica. It consists of known standard pharmaceutical compounds for which high quality Q-Exactive MS/MS data is provided. The data set contain drugs ranging from antifungal and antipsychotic agents to inhibitors of the hepatitis C virus and a compound that slows down progression of Alzheimer's disease.
Files
Files
(186.1 MB)
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md5:f7c49769832dca36ec5abdbeb9e9d171
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88.8 MB | Download |
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md5:e5934a8e5d2baf97fb6e3c99b92b87c1
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97.2 MB | Download |
Additional details
Related works
- Is supplement to
- 10.1101/134189 (DOI)