Application of a non‐target variable data independent workflow (vDIA) for the screening of prohibited substances in doping control testing. Issue 5 (15th July 2020)

• Record Type: Journal Article
• Authors: Leung, David K.K.; Wong, April S.Y.; Zhou, Q.L.; Wan, Terence S.M.; Ho, Emmie N.M.
• Other Names: Cawley Adam guestEditor.
• Is Part Of: Drug testing and analysis. Volume 13:Issue 5(2021)
• Page Start: 1008
• Page End: 1033
• Publication Date: 2020-07-15
• Subjects: equine doping control testing -- high resolution mass spectrometry -- horse urine -- Non‐target workflow -- vDIA; Drugs -- Analysis -- Periodicals; Drug testing -- Periodicals; Chemistry, Forensic -- Periodicals; 615.1901
• DOI: 10.1002/dta.2881
• Languages: English
• ISSNs: 1942-7603

Abstract

Abstract: 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. Abstract : 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. A significant advantage of the vDIA workflow is that it can theoretically accommodate an unlimited number of analytes. The same workflow can also be used for any additional analytes amenable to the extraction method as long as their precursor masses fall within the mass limits of the workflow.