基于数据依赖质谱采集的果蔬多残留农药检测方法的性能增强和样品通量提高

D. Tonoli, Aline Staub Spörri, M. Blanco, Philippe Jan, Jean-Paul Larcinese, Patricia Schmidt-Millasson, D. Ortelli, P. Edder
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引用次数: 3

摘要

由于分析的农药残留数量不断增加,分析策略已经发展到在一次分析中处理100种农药的数据。本文提出了一种基于三重四极杆技术的LC-MS/MS方法,能够检测浓度为5 ng/g的农药,并在单次注射中确认381种农药。验证性分析使用数据依赖采集进行,将候选物的全MS/MS光谱与同一注射剂内的快速文库查询进行比较。对200多个水果和蔬菜样本(代表主要类型:正常、色素和脂肪)进行了比较,并基于每种化合物的单一MRM分析进行了先前的工作流程,以验证该方法。由于更明确的识别,减少了重新注入以确认候选者的需要,因此证明了更快的周转时间。自动库搜索和确认假定的匹配也允许专注于手动验证和确认步骤,只针对假定的候选者,因此也提高了总体吞吐量和结果质量。由于注入体积的减少,该方法具有优越的鲁棒性,这也是使用该方法实现的关键点之一。另外一个有趣的特性是能够轻松地丰富库和筛选杀虫剂的数量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Performance enhancement and sample throughput increase of a multiresidue pesticides method in fruits and vegetables using Data-Dependent MS acquisition
ABSTRACT Due to the growing number of analysed pesticide residues, analytical strategies have evolved for the data processing of 100s of pesticides in a single analysis. We present herein a LC-MS/MS method based on triple quadrupole technology capable of detecting concentrations at 5 ng/g and confirming 381 pesticides in a single injection. Confirmatory analysis is performed using data-dependent acquisition that compares full MS/MS spectra of candidates to a fast library interrogation within the same injection. A comparison on more than 200 samples of fruits and vegetables (representing principal types: normal, pigmented, and fatty) with pre-existing workflow based on single MRM analysis per compound was performed to validate this approach. A fast turnaround time was demonstrated due to more-unambiguous identification suppressing the need for reinjection to confirm candidates. The automated library searching and confirmation only of putative hits also allowed focusing on the manual verification and validation steps just for putative candidates which hence also increased overall throughput and results quality. Superior robustness of the method due partially to a reduced volume injected was also one of the key points achieved using this methodology. An interesting feature is also the capability to enrich the library and the number of pesticides screened with ease.
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