Additional file 5: Table S3. of Towards a scientific interpretation of the terroir concept: plasticity of the grape berry metabolome

List of molecules identified in the HPLC-ESI-MS data set generated by MZmine software. a) ID based on MZmine data matrix; b) row m/z of parent ions; c) retention time (RT) in minutes; d) putative identification; e) class; aa: amino acids; ac: anthocyanins; flav: flavonoids; fr: fragment; hb: hydroxybenzoic acids; hc: hydroxycinnamic acids; oa: organic acids; pr: procyanidins; s: sugars; st: stilbenes; t: tannins; ui: unidentified; f) MS/MS fragments of parent ions; fragments selected for further fragmentation are shown in bold; g) MS3fragments generated from ions reported in bold in the MS/MS column. (XLSX 42 kb)