Evaluation of segmented non-target data acquisition (SWATH/vDIA) in a QToF and QOrbitrap for pesticide residue analysis,Analytical Methods

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Evaluation of segmented non-target data acquisition (SWATH/vDIA) in a QToF and QOrbitrap for pesticide residue analysis
Analytical Methods ( IF 2.7 ) Pub Date : 2020-03-27 , DOI: 10.1039/d0ay00290a
Łukasz Rajski _{1,

2,

3,

4,

5} , Iciar Beraza _{1,

2,

3,

4,

5} , María José Gómez Ramos _{1,

2,

3,

4,

5} , Carmen Ferrer _{1,

2,

3,

4,

5} , Amadeo R. Fernández-Alba _{1,

2,

3,

4,

5}

Affiliation

Two high-resolution instruments (a QToF and a QOrbitrap) were used to evaluate a segmented non-target MS2 (SWATH/vDIA) acquisition for pesticide residue analysis. Three matrices (tomato, orange, and leek) and 163 pesticides were used for this study. Samples were analysed by use of 1, 5, 8, and 20 mass windows and the last one was used only in the QToF. The objectives of the evaluation were: the number of detected fragment ions, mass accuracy, ion ratio, and sensitivity. Obtained results showed a positive influence of the mass windows on the detection of the fragment ions, ion ratio stability and mass accuracy with no effect on the sensitivity of the analysis. The experiments revealed the importance of the size of the mass windows selected. Therefore, the use of variable mass windows optimizing the size is necessary in case of limitations of the scan speed. Nevertheless, the contemporary instrumentation still cannot achieve a high number of very narrow mass windows (<10 Da) what is necessary for the optimal selectivity.

中文翻译：

在QToF和QOrbitrap中评估分段非目标数据采集（SWATH / vDIA）以进行农药残留分析

使用两种高分辨率仪器（QToF和QOrbitrap）来评估用于农药残留分析的分段非目标MS2（SWATH / vDIA）采集。本研究使用了三种基质（番茄，橙和韭菜）和163种农药。通过使用1、5、8和20个质量窗口对样品进行分析，最后一个仅在QToF中使用。评估的目的是：检测到的碎片离子数量，质量准确度，离子比率和灵敏度。获得的结果表明质量窗口对碎片离子的检测，离子比稳定性和质量准确度有积极影响，而对分析的灵敏度没有影响。实验揭示了所选质量窗口大小的重要性。因此，如果扫描速度受到限制，则必须使用可变质量窗口来优化尺寸。尽管如此，现代仪器仍然无法实现大量非常窄的质量窗口（<10 Da），这对于最佳选择性是必需的。

更新日期：2020-04-24

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