دورية أكاديمية
Electron activated dissociation - a complementary fragmentation technique to collision-induced dissociation for metabolite identification of synthetic cathinone positional isomers.
| العنوان: | Electron activated dissociation - a complementary fragmentation technique to collision-induced dissociation for metabolite identification of synthetic cathinone positional isomers. |
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| المؤلفون: | Che P; Vrije Universiteit Amsterdam, Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Division of BioAnalytical Chemistry, Amsterdam, the Netherlands; Center for Analytical Sciences Amsterdam (CASA), Amsterdam, the Netherlands., Davidson JT; Sam Houston State University, Department of Forensic Science, Huntsville, TX, USA., Kool J; Vrije Universiteit Amsterdam, Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Division of BioAnalytical Chemistry, Amsterdam, the Netherlands; Center for Analytical Sciences Amsterdam (CASA), Amsterdam, the Netherlands., Kohler I; Vrije Universiteit Amsterdam, Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Division of BioAnalytical Chemistry, Amsterdam, the Netherlands; Center for Analytical Sciences Amsterdam (CASA), Amsterdam, the Netherlands; Co van Ledden Hulsebosch Center (CLHC), Amsterdam Center for Forensic Science and Medicine, Amsterdam, the Netherlands. Electronic address: i.kohler@vu.nl. |
| المصدر: | Analytica chimica acta [Anal Chim Acta] 2023 Dec 01; Vol. 1283, pp. 341962. Date of Electronic Publication: 2023 Oct 26. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Elsevier Country of Publication: Netherlands NLM ID: 0370534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4324 (Electronic) Linking ISSN: 00032670 NLM ISO Abbreviation: Anal Chim Acta Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Amsterdam : Elsevier Original Publication: Amsterdam. |
| مواضيع طبية MeSH: | Synthetic Cathinone* , Electrons*, Tandem Mass Spectrometry/methods ; Chromatography, Liquid/methods ; Ions/analysis |
| مستخلص: | Over the last decade, a remarkable number of new psychoactive substances (NPS) have emerged onto the drug market, resulting in serious threats to both public health and society. Despite their abundance and potential toxicity, there is little information available on their metabolism, a crucial piece of information for clinical and forensic purposes. NPS metabolism can be studied using in vitro models, such as liver microsomes, cytosol, hepatocytes, etc. The tentative structural elucidation of metabolites of NPS formed using in vitro models is typically carried out using liquid chromatography combined with high-resolution tandem mass spectrometry (LC-HRMS 2 ) with collision-induced dissociation (CID) as a fragmentation method. However, the thermally-excited ions produced with CID may not be sufficient for unambiguous identification of metabolites or their complete characterization. Electron-activated dissociation (EAD), a relatively new fragmentation approach that can be used to fragment singly-charged ions, may provide complementary structural information that can be used to further improve the confidence in metabolite identification. The aim of this study was to compare CID and EAD as fragmentation methods for the characterization and identification of synthetic cathinone positional isomers and their metabolites. The in vitro metabolism of 2-methylethcathinone (2-MEC), 3-methylethcathinone (3-MEC) and 4-methylethcathinone (4-MEC) was investigated with both CID and EAD methods using LC-HRMS 2 . Four, seven and six metabolites were tentatively identified for the metabolism of 2-MEC, 3-MEC and 4-MEC, respectively. Here, the metabolism of 3-MEC and 2-MEC is reported for the first time. The EAD product ion mass spectra showed different fragmentation patterns compared to CID, where unique and abundant product ions were observed in EAD but not in CID. More importantly, certain EAD exclusive product ions play a significant role in structural elucidation of some metabolites. These results highlight the important role that EAD fragmentation can play in metabolite identification workflows, by providing additional fragmentation data compared with CID and, thus, enhancing the confidence in structural elucidation of drug metabolites. Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (Copyright © 2023 The Authors. Published by Elsevier B.V. All rights reserved.) |
| فهرسة مساهمة: | Keywords: Collision-induced dissociation; Electron activated dissociation; Liquid chromatography; Mass spectrometry; Phase I metabolite identification; Positional isomers; Synthetic cathinones |
| المشرفين على المادة: | 0 (Synthetic Cathinone) 0 (Ions) |
| تواريخ الأحداث: | Date Created: 20231117 Date Completed: 20231120 Latest Revision: 20231120 |
| رمز التحديث: | 20231120 |
| DOI: | 10.1016/j.aca.2023.341962 |
| PMID: | 37977786 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1873-4324 |
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| DOI: | 10.1016/j.aca.2023.341962 |