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MetabolomicsMolecular networking coupled to high-resolution mass spectrometry fragmentation reveals a multitude of urinary antihypertensive drug metabolites
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
MetabolomicsChanging environments and genetic variation: natural variation in inbreeding does not compromise short-term physiological responses
Selfing plant lineages are surprisingly widespread and successful in a broad range of environments, despite showing reduced genetic diversity, which is predicted to reduce their long-term evolutionary potential. However, appropriate short-term plastic responses to new environmental conditions might ...
2019-10-25 | MTBLS883 | MetaboLights
MetabolomicsA novel targeted/untargeted GC-Orbitrap metabolomics methodology applied to Candida albicans and Staphylococcus aureus biofilms

INTRODUCTION: Combined infections from Candida albicans and Staphylococcus aureus are a leading cause of death in the developed world. Evidence suggests that Candida enhances the virulence of Staphylococcus - hyphae penetrate through tissue bar...

2017-02-20 | MTBLS370 | MetaboLights
Other,MultiomicsUpload positive mode data only from urine antihypertensive screening paper
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
Metabolomics,MultiomicsGNPS - Urine MS/MS data used for Antihypertensive Drug Screening study
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) 
MSV000082971 | GNPS
MetabolomicsGNPS - Scottish Ale Beer fragmentation data used for substructure mining with MS2LDA
This data set was used for the following publication: Topic modeling for untargeted substructure exploration in metabolomics (Van der Hooft et al., 2016, PNAS) (http://www.pnas.org/content/113/48/13738.abstract) Extracts from UK Ales and a German Wheat style beer brewed in Scotland were used to min...
ORGANISM(S): Barley Saccharomyces Cerevisiae (ncbitaxon:4932) Humulus Lupulus (ncbitaxon:3486) Ale Beer 
2017-04-29 | MSV000081040 | GNPS
Metabolomics,MultiomicsGNPS - Positive mode data selected from urine antihypertensive screening paper
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.
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2019-03-05 | MSV000083540 | GNPS
Metabolomics,MultiomicsGNPS - Upload positive mode data only from urine antihypertensive screening paper
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 (ncbitaxon:9606) 
2019-03-05 | MSV000083528 | GNPS
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