HRAM-tools for studies of pesticide metabolites in the soil environment

OBJECTIVES • Gain a better understanding of the fate of pesticides in the environment by also screening and detecting their metabolites • Predict and detect pesticide metabolites in soils using high resolution accurate mass (HRAM) tools; Thermo Q Exactive orbitrap and Compound DiscovererTM software. HIGHLIGHTS • We present in silico metabolism simulation to predict fungicide metabolites in soil • We present a screening method for 800 pesticides and metabolites in soil and food, exemplified with soil samples from strawberry field degradation studies (including fluopyram, boscalid and pyraclostrobin and others) • We address the lack of molecular formulas for known metabolites in current databases as an obstacle in establishing HRAM screening methods