MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment.

Journal of proteome research
Authors
Keywords
Abstract

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.

Year of Publication
2019
Journal
Journal of proteome research
Volume
18
Issue
3
Pages
1446-1450
Date Published
03/2019
ISSN
1535-3907
DOI
10.1021/acs.jproteome.8b00893
PubMed ID
30562035
Links