MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment.
measurement artifact
missing pattern
pooled QC sample
untargeted metabolomics
Journal
Journal of proteome research
ISSN: 1535-3907
Titre abrégé: J Proteome Res
Pays: United States
ID NLM: 101128775
Informations de publication
Date de publication:
01 03 2019
01 03 2019
Historique:
pubmed:
19
12
2018
medline:
19
5
2020
entrez:
19
12
2018
Statut:
ppublish
Résumé
High-throughput metabolomics using liquid chromatography and mass spectrometry (LC/MS) provides a useful method to identify biomarkers of disease and explore biological systems. However, the majority of metabolic features detected from untargeted metabolomics experiments have unknown ion signatures, making it critical that data should be thoroughly quality controlled to avoid analyzing false signals. Here, we present a postalignment method relying on intermittent pooled study samples to separate genuine metabolic features from potential measurement artifacts. We apply the method to lipid metabolite data from the PREDIMED (PREvención con DIeta MEDi-terránea) study to demonstrate clear removal of measurement artifacts. The method is publicly available as the R package MetProc, available on CRAN under the GPL-v2 license.
Identifiants
pubmed: 30562035
doi: 10.1021/acs.jproteome.8b00893
pmc: PMC9018011
mid: NIHMS1791791
doi:
Substances chimiques
Biomarkers
0
Lipids
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
1446-1450Subventions
Organisme : NHLBI NIH HHS
ID : R01 HL118264
Pays : United States
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