Comprehensive UHPLC-HR-MSE screening workflow optimized for use in routine laboratory medicine: Four workflows in one analytical method
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Comprehensive UHPLC-HR-MSE screening workflow optimized for use in routine laboratory medicine : Four workflows in one analytical method. / Mardal, Marie; Fuskevåg, Ole-Martin; Dalsgaard, Petur Weihe.
I: Journal of Pharmaceutical and Biomedical Analysis, Bind 196, 113936, 01.2021.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Comprehensive UHPLC-HR-MSE screening workflow optimized for use in routine laboratory medicine
T2 - Four workflows in one analytical method
AU - Mardal, Marie
AU - Fuskevåg, Ole-Martin
AU - Dalsgaard, Petur Weihe
N1 - Copyright © 2021 Elsevier B.V. All rights reserved.
PY - 2021/1
Y1 - 2021/1
N2 - A comprehensive HR-MS screening can be used to identify thousands of drugs from a single analysis, which makes it a valuable tool for broad-scope component-resolved toxicological analysis. However, it is common practice in clinical toxicology to perform restricted data analysis to avoid examining and/or reporting data not requested for examination. In this study, a HR-MS screening workflow was developed to allow a comprehensive toxicological evaluation, but also restricted and levelled data analysis to fit in a clinical setting. Following precipitation and reconstitution, samples were injected on an UHPLC-HR-MS and data were analyzed with the data processing software UNIFI. Analytical validation of 38 selected drugs of abuse (DoA), included determination of matrix effect, recovery, process efficiency, and limit of identification (LOI). The method was tested on 49 authentic samples and matrix-matched ranges of calibrators for 95 drugs. The LOI ranged from 0.3 to 1426.7 ng mL-1 for most analytes which was within expected concentration range for authentic samples with THC-COOH (>1722.0 ng mL-1) and morphine (1426.7 ng mL-1) as notable exceptions. Four individual screening workflows were developed: 1) a targeted workflow to serve as orthogonal identification of the 38 selected DOAs from another in-house method, 2) a general toxicology workflow, 3) an extended toxicology workflow including new psychoactive substances (NPS), and 4) a workflow for NPS based on the online HighResNPS library. Our study presents a comprehensive LC-HR-MS toxicology screening method optimized for laboratory medicine. The workflow allows for levelled data reviewing when requested without compromising the ability to perform full toxicological analyses.
AB - A comprehensive HR-MS screening can be used to identify thousands of drugs from a single analysis, which makes it a valuable tool for broad-scope component-resolved toxicological analysis. However, it is common practice in clinical toxicology to perform restricted data analysis to avoid examining and/or reporting data not requested for examination. In this study, a HR-MS screening workflow was developed to allow a comprehensive toxicological evaluation, but also restricted and levelled data analysis to fit in a clinical setting. Following precipitation and reconstitution, samples were injected on an UHPLC-HR-MS and data were analyzed with the data processing software UNIFI. Analytical validation of 38 selected drugs of abuse (DoA), included determination of matrix effect, recovery, process efficiency, and limit of identification (LOI). The method was tested on 49 authentic samples and matrix-matched ranges of calibrators for 95 drugs. The LOI ranged from 0.3 to 1426.7 ng mL-1 for most analytes which was within expected concentration range for authentic samples with THC-COOH (>1722.0 ng mL-1) and morphine (1426.7 ng mL-1) as notable exceptions. Four individual screening workflows were developed: 1) a targeted workflow to serve as orthogonal identification of the 38 selected DOAs from another in-house method, 2) a general toxicology workflow, 3) an extended toxicology workflow including new psychoactive substances (NPS), and 4) a workflow for NPS based on the online HighResNPS library. Our study presents a comprehensive LC-HR-MS toxicology screening method optimized for laboratory medicine. The workflow allows for levelled data reviewing when requested without compromising the ability to perform full toxicological analyses.
KW - Chromatography, High Pressure Liquid
KW - Chromatography, Liquid
KW - Laboratories
KW - Mass Spectrometry
KW - Substance Abuse Detection
KW - Workflow
U2 - 10.1016/j.jpba.2021.113936
DO - 10.1016/j.jpba.2021.113936
M3 - Journal article
C2 - 33561772
VL - 196
JO - Journal of Pharmaceutical and Biomedical Analysis
JF - Journal of Pharmaceutical and Biomedical Analysis
SN - 0731-7085
M1 - 113936
ER -
ID: 274122291