Suspect and target screening of emerging pesticides and their transformation products in an urban river using LC-QTOF-MS

Highlights: • Thirty pesticides and twenty transformation products (TPs) were identified in this study. • Fungicides and their TPs constituted the largest group. • WWTP was the main source of certain pesticides in urban river. • Ten pesticides exhibited high risk to aquatic organisms. This study sheds light on the occurrence of emerging pesticides and their transformation products (TPs) in an urban river in Beijing that is mainly supplemented with treated wastewater. To this end, suspect and non-target screening was conducted using a database of 557 commercial pesticides and over 1400 predicted TPs. Finally, 30 pesticides and 20 TPs were identified, with 12 pesticides and 10 TPs detected in all samples. Eleven pesticides and 17 TPs were detected in Beijing for the first time. Among these, 18 compounds were confirmed using authentic standards. Concentrations of the confirmed and suspected compounds were determined by quantification and semi-quantification, respectively, based on 18 authentic standards. Fungicides and their TPs constituted the largest group and exhibited the highest total concentration (26 compounds; 52.2 μg/L), followed by insecticides (14 compounds; 51.3 μg/L) and herbicides (10 compounds; 24.5 μg/L). DEET, carbendazim, prometryn, ω-carboxylic acid, 2-aminobenzimidazole, metolachlor TP, hexaconazole TP, metalaxyl TP, and azoxystrobin TP exhibited relatively high mean concentration (>100 ng/L). Among the 20 TPs, approximately 65% showed higher concentrations than their parent compounds. Correlation analysis revealed that 6 pesticides and 10 TPs in the river were mainly contributed by the discharge from a wastewater treatment plant. Although a majority of the emerging pesticides had low toxicity, 10 pesticides exhibited high risks to aquatic systems, especially invertebrates.