GNPS - Metabolomics data complemented drug use information in epidemiological databases: pilot study of potential kidney donors
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ABSTRACT: Import from https://yareta.unige.ch/#/home/detail/1671012c-e04b-46cd-9628-45e264b49759
Objective : The objective of this study was to investigate whether clinical metabolomics, which is increasingly applied in population-based and epidemiological studies, can be used to provide analytical evidence of exposures, and whether such information can be useful to strengthen and/or complement corresponding clinical database entries, taking drug use as an example.
Study design and setting : Liquid chromatography-mass spectrometry (LC-MS) metabolomics analyses were performed on urine from 100 randomly-selected control subjects (50% females) from the TransplantLines Food and Nutrition Biobank and Cohort Study (NCT identifier NCT02811835), and drugs were identified through spectral library searching and targeted signal extraction.
Results : In 83 subjects for whom drug use information was available, 22 expected and 26 unexpected prescription-only drugs were identified, while 28 expected prescription-only drugs remained undetected. In addition, 7 prescription-only drugs were found in 17 subjects for whom drug use information was unavailable, and 58 over-the-counter drugs were identified in all 100 subjects.
Conclusion : Molecular evidence for many drugs could be retrieved from LC-MS metabolomics data, which could be useful to complement and strengthen epidemiological databases given that considerable discrepancies were found between analytically-identified drugs and drugs listed in the available clinical database.
INSTRUMENT(S): TripleTOF 5600
ORGANISM(S): Homo Sapiens (ncbitaxon:9606)
SUBMITTER:
Gerard Hopfgartner
PROVIDER: MSV000086876 | GNPS | Mon Feb 15 17:43:00 GMT 2021
REPOSITORIES: GNPS
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