The LC-HRMS data analysis followed a workflow adapted from Oesterle et al. . Briefly, the raw files were converted to MGF files with MSConvert (v3.0.22067) , and then imported into MZMine (v3.3.0) for feature processing. Suspect screening was done in MZMine by monoisotopic mass matching of the features with the entries in PhytoHub and Exposome-Explorer . MZMine was also used for feature annotation with a spectral library from MS-DIAL Metabolomics using a minimum cosine score (normalized dot-product) of 0.7. SIRIUS (v5.5.7) was used for in silico fragmentation (minimum score of -50). All the steps and parameters applied are listed in Table .7. Conversely, the LC-MS/MS results were analyzed with Skyline (v21.2) .