|
Title
|
|
|
|
LC-MS/MS data of pharmaceutical compounds
|
|
|
Author
|
|
|
|
|
|
|
Abstract
|
|
|
|
| Dataset used for MergeION package testing are provided by Janssen Pharmaceutica. It consists of known standard pharmaceutical compounds for which high quality Q-Exactive MS/MS data is provided. Details about these compounds can be found in library_metadata.csv. All datasets were acquired in positive ion mode through either DDA (data-dependent acquisition) or targeted MS/MS. Raw data in profile mode were converted into centroid-mode mzML or mzXML files using MSConvertGUI (part of ProteoWizard software). |
|
|
|
Language
|
|
|
|
English
|
|
|
Related publication(s)
|
|
|
|
|
|
|
Publication
|
|
|
|
2018
|
|
|
DOI
|
|
|
|
10.5281/ZENODO.2581847
|
|
|
Volume/pages
|
|
|
|
|
|
|
Full text (Publisher's DOI)
|
|
|
|
|
|