The raw data were converted to .mzXML open format with the MS Convert software, part of the ProteoWizard 60 project. The converted files were uploaded and processed with MZmine3 . The parameters for processing were as follows in PI (NI) mode: MS 1 level mass detection 1.0E (1.0E 5 ). MS 2 detection noise level was set to 0.00 for both ionization modes. The chromatograms were built using the ADAP chromatogram algorithm (minimum group size in number of scans, 4; group intensity threshold, 1.0E (1.0E 5 negative); minimum highest intensity, 1.0E (1.0E 5 negative), scan-to-scan accuracy (m/z) of 0.0020 or 10.0 ppm). Deconvolution was made with the ADAP feature resolver algorithm (S/N threshold, 30; minimum feature height, 1.0E (1.0E 5 ); coefficient area threshold, 110; peak duration range, 0.01 -1.0 min; RT wavelet range, 0.01 -0.08 min). Isotopes were detected using the 13C isotope filter (m/z tolerance of 0.0050 or 8.0 ppm, RT tolerance of 0.03 min (absolute), the maximum charge set at 2, and the representative isotope used was the lowest m/z). The feature lists were filtered by RT (PI: 0.70 -8.00 min, NI: 0.40 -8.00 min), and only ions with an associated MS 2 spectrum were kept, before alignment. The join-aligner algorithm was used for alignment (m/z tolerance, 0.0050 or 8.0 ppm; RT tolerance, 0.05 min). The aligned feature table was filtered to remove duplicates (m/z tolerance, 8.0 ppm; RT tolerance, 0.10 min) and features present in the corresponding blanks. The resulting filtered lists were subjected to Ion Identity Networking (metaCorrelate module: RT tolerance, 0.10 min; minimum height, 1.0E (1.0E 3 ); Intensity correlation threshold 1.0E (1.0E 3 ) and the Correlation Grouping with the default parameters. Ion identity networking: m/z tolerance, 8.0 ppm; check: one feature; minimum height: 1.0E (1.0E 3 ), annotation library [maximum charge, 2; maximum molecules/cluster, 2; Adducts: