Other,Multiomics

Dataset Information

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Upload positive mode data only from urine antihypertensive screening paper

ABSTRACT: 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 there.

OTHER RELATED OMICS DATASETS IN: MTBLS307MSV000082971MSV000083540

INSTRUMENT(S): Q Exactive

ORGANISM(S): Homo Sapiens

SUBMITTER: Justin van der Hooft  

PROVIDER: MSV000083528 | MassIVE | Tue Mar 05 08:04:00 GMT 2019

REPOSITORIES: MassIVE

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Dataset's files

Source:
Action DRS
MSV000083528 Other
params.xml Xml
Pooled_Urine_5_posneg_b.mzML Mzml
Urine_05_Top10_posneg.mzML Mzml
Urine_101_Top10_posneg.mzML Mzml
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Publications

Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation.

van der Hooft Justin J J JJ   Padmanabhan Sandosh S   Burgess Karl E V KE   Barrett Michael P MP  

Metabolomics : Official journal of the Metabolomic Society 20160705

<h4>Introduction</h4>Mass spectrometry is the current technique of choice in studying drug metabolism. High-resolution mass spectrometry in combination with MS/MS gas-phase experiments has the potential to contribute to rapid advances in this field. However, the data emerging from such fragmentation spectral files pose challenges to downstream analysis, given their complexity and size.<h4>Objectives</h4>This study aims to detect and visualize antihypertensive drug metabolites in untargeted metab  ...[more]

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