Comparison of high resolution mrm and sequential window acquisition of all theoretical fragment-ion acquisition modes for the quantitation of 48 wastewater-borne pollutants in lettuce.

• Comparison of high resolution multiple reaction monitoring and SWATH acquisition MS modes. • Development of a modified quechers-based method for the determination of 48 phacs in lettuce. • Efficient analyte recoveries and low matrix effects using two-step cleanup. • 46 out of 48 analytes show satisfactory method performance in SWATH mode. • 14 out of 48 studied compounds were detected in field samples. Screening of a large number of chemicals of emerging concern is highly desirable for the control of crops irrigated with reclaimed water since it is considered an alternative water source of great value. This study describes a high resolution mass spectrometry approach for developing methods for quantification in lettuce leaves of 48 different wastewater-borne pollutants (including analgesics and anti-inflammatories, anti-hypertensives, antifungal agents, lipid regulators, psychiatric drugs and stimulants, β-blockers, antibiotics, antimycotics, and sweeteners) frequently found in water resources. In this respect, a simple and fast QuEChERS-based method for the determination of contaminants in lettuce has been developed. During extraction, the use of formic acid was adopted to further improve the results of some problematic compounds (e.g., fenofibrate, furosemide, metronidazole, oxcarbazepine, sulfanilamide). High resolution multiple reaction monitoring (MRMHR) and SWATH acquisition were compared in term of accuracy, repeatability, sensitivity, linearity and matrix effect. Both methods provided similar recoveries between 80 and 120% in lettuce leaves, although sulfanilamide, ciprofloxacin, and sulfamethazine presenting values of 26.8, 27.8, and 28.4% in MRMHR and 25, 33.9, and 35% in SWATH, respectively. The effectiveness of a two-step cleanup on analyte recovery was also assessed and matrix effects were also taken into consideration during the method validation. The developed method allows the simultaneous quantitative analysis of 48 compounds (drug residues and metabolites) in lettuce leaves irrigated with treated wastewater for human consumption. Application of the present method to lettuce crops growth in controlled conditions showed the presence of 14 out 48 studied compounds with similar concentrations in both acquisition modes ranging from 3.3 and 1.3 ng g −1 for climbazole (for MRMHR and SWATH, respectively) to 33.2 and 17.7 ng g −1 for sulfamethazine. Drug residues such as carbamazepine (6.0 and 8.5 ng g −1), and its metabolite carbamazepine epoxide (18.1 and 16.5 ng g −1), frequently found in wastewater effluents, were also detected. [ABSTRACT FROM AUTHOR]