Assessment of Co-Formulants in Marketed Plant Protection Products by LC-Q-Orbitrap-MS: Application of a Hybrid Data Treatment Strategy Combining Suspect Screening and Unknown Analysis

通过 LC-Q-Orbitrap-MS 评估市售植物保护产品中的辅助配方:结合可疑物筛查和未知物分析的混合数据处理策略的应用

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作者:Antonio Jesús Maldonado-Reina, Rosalía López-Ruiz, Roberto Romero-González, José Luis Martínez Vidal, Antonia Garrido-Frenich

Abstract

The aim of this study was the determination of co-formulants in 15 different chlorantraniliprole- and difenoconazole-based plant protection products (PPPs) belonging to different formulations. Samples were analyzed by ultrahigh-performance liquid chromatography coupled to Q-Orbitrap high-resolution mass accuracy spectrometry (UHPLC-Q-Orbitrap-MS), operating in full-scan MS and data-dependent acquisition (ddMS2) modes. A total of 78 co-formulants were tentatively identified by a combination of suspect screening and unknown analysis. Nine of them were later confirmed by analytical standards. Finally, the analytical method was successfully validated and co-formulants were quantified. Linear alkyl ethoxylates (LAS) were the most common type of co-formulant, followed by sodium alkylbenzene sulfonates. Moreover, sodium dodecyl benzene sulfonate had the highest concentration of any co-formulant (up to 32.33 g/L). In all, an innovative identification of co-formulants in a large number of PPPs is presented, which will give room for future studies delving into the composition of PPPs or determining these co-formulants in environmental or agricultural samples.

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