Published July 27, 2018
| Version v2
Dataset
Open
LC-MS/MS data of pharmaceutical compounds
Description
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).
Files
library_metadata.csv
Files
(414.1 MB)
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md5:4afbcd819bf3ea0b44266ded560b5554
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56.5 MB | Download |
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md5:b6c637f37607493fe2cadfe2199454d1
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112.6 MB | Download |
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10.0 kB | Preview Download |
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md5:bcaa8f30488ce1445fafb555a66c4407
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222 Bytes | Preview Download |
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md5:88cd712b00884822163a76a061e649b3
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220.4 MB | Download |
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md5:a4834a9a0e8abb35ecc252e5b0b7041b
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24.5 MB | Download |