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Mass spectrometry is the current technique of choice in studying drug metabolism. High-resolution mass spectrometry (HR-MS) in combination with fragment analysis (MS/MS) has the potential to contribute to rapid advances in this field. However, the data emerging from such fragmentation spectra pose c...
2016-05-23 | MTBLS307 | MetaboLights
Human urine samples measured using pHILIC LC-MS/MS and LC-MS in negative ionisation mode. Urine samples were from clinical cohort in which we expected to find substantial amounts of xenobiotics. Samples were used for MS2LDA substructure discovery to find the building blocks of metabolomics.
ORGANISM(S): Homo Sapiens 
2019-03-05 | MSV000083527 | MassIVE
Human urine samples measured using pHILIC LC-MS/MS and LC-MS in positive ionisation mode. Urine samples were from clinical cohort in which we expected to find substantial amounts of xenobiotics. Samples were used for MS2LDA substructure discovery to find the building blocks of metabolomics.
ORGANISM(S): Homo Sapiens 
2019-03-05 | MSV000083526 | MassIVE
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.
ORGANISM(S): Homo Sapiens 
2019-03-05 | MSV000083528 | MassIVE
Samples from the UK Glomerulonephritis DNA bank
GWAS study of families with probands with IgA nephropathy from the UK Glomerulonephritis DNA bank
Data Access Committee EGAC00000000013
Urine MS/MS data acquired to test Molecular Networking as tool for drug screening in human urine to assist in drug adherence monitoring. Samples from a antihypertensive drug adherence human cohort were retroperspectively selected to test how many commonly prescribed antihypertensives and other over-...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
Human urine samples measured using pHILIC LC-MS/MS and LC-MS in negative ionisation mode. Urine samples were from clinical cohort in which we expected to find substantial amounts of xenobiotics. Samples were used for MS2LDA substructure discovery to find the building blocks of metabolomics. All para...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2019-03-05 | MSV000083539 | GNPS
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