Note that this only contains the positive fragmentation mode data obtained in the project filtered from the posneg combined mode from MSV000082971 - see further details on all parameters and settings there and in the paper.
[doi:10.25345/C5V623]
[dataset license: CC0 1.0 Universal (CC0 1.0)]
Keywords: urine ; drug screening ; metabolomics ; antihypertensives ; human ; metabolism ; endogenous molecular families ; substructures ; positive ionisation mode ; electrospray ionisation ; normal phase chromatography ; pHILIC
Principal Investigators: (in alphabetical order) |
Justin van der Hooft, Wageningen University, The Netherlands |
Submitting User: | jjjvanderhooft |
van der Hooft JJJ, Padmanabhan S, Burgess KE, Barrett MP.
Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation.
Metabolomics. Epub 2016 Jul 5.
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