Pesticide metabolites database and occurrence data in wine

Pesticide metabolites database is the overview of potential pesticide metabolites originated from selected parent compounds. These metabolites can be found in various source including JMPR (FAO/WHO) documents, EU pesticide database, EFSA etc. Based on their elemental formula respective ions (protonated / deprotonated molecules, their adducts) originated in ESI source can be derived for ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC-HRMS). Occurrence data were obtained from determination of pesticide residues and their metabolites in samples of grapevine and wine, using UHPLC-HRMS, with the objective of supporting the possibility of the verification of the method of farming. It documents the identification of pesticide metabolites commonly used in conventional farming and provides a characterization of pesticide degradation during grapevine growth, maturation and during the wine-making process. The dataset is useful for anyone working on authentication of organic fruits and vegetables.