An Efficient LC–HRMS-Based Approach to Evaluate Pesticide Contamination in Water Bodies with Measurement Uncertainty Considerations

Over recent decades, the global occurrence of pesticide residues in aquatic environments has been a pivotal issue; however, their trace-level concentrations necessitate the establishment of ultra-sensitive and reliable analytical approaches. To this end, the present study describes the optimization and validation of an LC-HRMS-based method for the accurate determination of 18 pesticides in river and sea water, accompanied by a measurement uncertainty estimation. This method was applied to analyze 17 real samples from agriculture and aquaculture-impacted areas in Greece and Albania. Different solid-phase extraction (SPE) protocols were tested. For the analysis, cutting-edge Orbitrap MS technology and MS/MS fragmentation, along with the use of matrix-matched calibration curves, provided unprecedented accuracy (