RT Journal Article
T1 MetProc: Separating Measurement Artifacts from True Metabolites in an Untargeted Metabolomics Experiment.
A1 Chaffin, Mark D
A1 Cao, Liu
A1 Deik, Amy A
A1 Clish, Clary B
A1 Hu, Frank B
A1 Martínez-González, Miguel A
A1 Razquin, Cristina
A1 Bullo, Monica
A1 Corella, Dolores
A1 Gómez-Gracia, Enrique
A1 Fiol, Miquel
A1 Estruch, Ramon
A1 Lapetra, José
A1 Fitó, Montserrat
A1 Arós, Fernando
A1 Serra-Majem, Lluís
A1 Ros, Emilio
A1 Liang, Liming
K1 measurement artifact
K1 missing pattern
K1 pooled QC sample
K1 untargeted metabolomics
AB 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.
YR 2018
FD 2018-12-31
LK http://hdl.handle.net/10668/13325
UL http://hdl.handle.net/10668/13325
LA en
DS RISalud
RD Apr 6, 2025