The data matrix was aligned, annotated and filtered in XCMS using the default settings of the spectrometer used. For data filtering, the Wilcoxon signed rank test was employed independently for each time point to select features showing significantly different intensities between the controls and treatments across all donors. As a result, a data matrix containing intensity, mass-to-charge (m/z) ratio, retention time (tR), fold change and p values was created and manually curated to obtain a list of parent silymarin components and their plausible catabolites.