— separating measurement artifacts from true metabolites in an untargeted metabolomics experiment
High-throughput metabolomics using liquid chromatography and mass spectrometry provide a useful method to identify biomarkers of disease and explore biological systems. However, the majority of metabolites detected from untargeted metabolomics experiments have unknown ion signatures making it critical that data be thoroughly quality controlled to avoid analyzing false signals. Here we present a method relying on intermittent pooled plasma samples to separate genuine metabolites from potential measurement artifacts using the R package MetProc.
Manuscript under review. Please cite the following:
Mark D. Chaffin, Liu Cao, Clary B. Clish, Frank B. Hu, Miguel A. Martínez-González, Monica Bullo, Dolores Corella, Enrique Gómez-Gracia, Miquel Fiol, Ramon Estruch, José Lapetra, Montserrat Fitó, Fernando Arós, Lluís Serra-Majem, Emilio Ros, and Liming Liang. (2016) MetProc: separating measurement artifacts from true metabolites in an untargeted metabolomics experiment. (submitted)