As new pesticides are continuously introduced into agricultural systems, it is essential to investigate their environmental behavior and toxicity effects to better evaluate their potential risks. In this study, the degradation kinetics, pathways, and aquatic toxicity of the new fused heterocyclic insecticide pyraquinil in water under different conditions were investigated for the first time. Pyraquinil was classified as an easily degradable pesticide in natural water, and hydrolyzes faster in alkaline conditions and at higher temperatures. The formation trends of the main transformation products (TPs) of pyraquinil were also quantified. Fifteen TPs were identified in water using ultrahigh-performance liquid chromatography coupled to quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Orbitrap-HRMS) and Compound Discoverer software, which adopted suspect and nontarget screening strategies. Among them, twelve TPs were reported for the first time and 11 TPs were confirmed by synthesis of their standards. The proposed degradation pathways have demonstrated that the 4,5-dihydropyrazolo[1,5-a]quinazoline skeleton of pyraquinil is stable enough to retain in its TPs. ECOSAR prediction and laboratory tests showed that pyraquinil was "very toxic" or "toxic" to aquatic organisms, while the toxicities of all of the TPs are substantially lower than that of pyraquinil except for TP484, which was predicted to pose a higher toxicity. The results are important for elucidating the fate and assessing the environmental risks of pyraquinil, and provide guidance for scientific and reasonable use.
Keywords: UHPLC-Orbitrap-HRMS; degradation pathways; hydrolysis kinetics; pyraquinil; toxicity; transformation products.