A non-target variable Data Independent Acquisition (vDIA) workflow based on accurate mass measurements using a Q Exactive OrbiTrap is presented for the first time for equine doping control testing. The vDIA workflow uses a combination of MS1 events (1 to 2) and multiple vDIA events to cover the analytes of interest. The workflow basically captures a digital image of a sample allowing all relevant MS1 and MS2 data to be recorded. In theory, the workflow can accommodate an unlimited number of analytes as long as they are amenable to the sample extraction protocol and fall within the mass limits of the workflow. Additional targets fulfilling the above requirements can be added without changing any settings. The performance of the vDIA workflow was illustrated by applying it to two screening methods in horse urine, with one workflow covering 331 basic drugs and the other covering 45 quaternary ammonium drugs (QADs). Both screening methods have good detection sensitivity with 84% of the basic drugs having Limits of Detection (LoDs) of ≤ 1 ng/mL and 84% of the QADs having LoDs of ≤ 0.4 ng/mL. Other method characteristics including retention reproducibility, method precision and false hit rate will also be presented.

中文翻译：

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非目标变量数据独立工作流程（vDIA）在兴奋剂检测中禁用物质筛查中的应用

首次提出了基于使用 Q Exactive OrbiTrap 进行精确质量测量的非目标变量数据独立采集 (vDIA) 工作流程，用于马兴奋剂控制测试。vDIA 工作流程使用 MS1 事件（1 到 2）和多个 vDIA 事件的组合来覆盖感兴趣的分析物。工作流程基本上是捕获样本的数字图像，从而允许记录所有相关的 MS1 和 MS2 数据。理论上，工作流程可以容纳无限数量的分析物，只要它们符合样品提取方案并且在工作流程的质量限制范围内。可以在不更改任何设置的情况下添加满足上述要求的其他目标。vDIA 工作流程的性能通过将其应用于马尿中的两种筛选方法来说明，一个工作流程涵盖 331 种基本药物，另一个工作流程涵盖 45 种季铵药物 (QAD)。两种筛选方法都具有良好的检测灵敏度，84% 的碱性药物的检测限 (LoD) ≤ 1 ng/mL，84% 的 QAD 的 LoDs ≤ 0.4 ng/mL。还将介绍其他方法特性，包括保留重现性、方法精密度和误报率。