|
Title
|
|
|
|
Drug plus - a pharmaceutical LC-MS/MS spectral database
| |
|
Author
|
|
|
|
| |
|
Abstract
|
|
|
|
| LC-MS/MS spectral database of 2,546 drug substances. The spectral database can be downloaded in RData (R object, can be used directly as input library for meRgeION), mgf (mascot generic format used in GNPS) and NIST msp format (used for MassBank). Drug structures, chemical classes, and experimental details of database items can be found in lib_consensus_metadata.csv. |
| |
|
Language
|
|
|
|
English
| |
|
Related publication(s)
|
|
|
|
| |
|
Publication
|
|
|
|
Zenodo
,
2022
| |
|
DOI
|
|
|
|
10.5281/ZENODO.7531170
| |
|
Volume/pages
|
|
|
|
| |
|
Full text (Publisher's DOI)
|
|
|
|
| |
|