Muresan, Anca Raluca Khandoker Asiqur Rahaman Son, Junghyun Kang, Min-Jung Kwon, Oh-Seung 2024-01-19T08:31:09Z 2024-01-19T08:31:09Z 2023-03-02 2023-11 1942-7603 https://pubs.kist.re.kr/handle/201004/113164 Bolasterone (7 alpha,17 alpha-dimethyltestosterone) and anabolic androgenic steroids are included in the World Anti-Doping Agency's Prohibited list of substances. This study aimed to evaluate the metabolism of bolasterone through in vitro experiments using rat liver microsomes and in vivo experiments using rat urine after oral administration. Urine samples were collected over a 168-h period. Bolasterone and its metabolites were detected by liquid chromatography coupled with a Q-Exactive Obitrap mass spectrometry (LC-HRMS). Ultimately 16 hydroxylated metabolites (M1-M16), one metabolite from the reduction of the 3-keto function and 4-ene (M17), and one glucuronic acid conjugated metabolite (M18) were detected. Metabolites M17 and M18 were confirmed by comparison with available reference or authentic standards. Metabolic modifications in the structure of the parent bolasterone result in different fragmentation patterns. Based on the sensitivity of the HRMS data, characteristic ions such as m/z 121.064 (C8H9O) generated from ring A of the mono-hydroxylated metabolites and 121.101 (C9H13) generated from ring D of the di-hydroxylated metabolites were observed that helped differentiate between the obtained metabolites. The structures of fragment ions were tentatively proposed based on their fragmentation pathways, where the significant ions were correlated to the possible structural fragments. In conclusion, new metabolites of bolasterone were detected and characterized by the use of the full-scan and dd-MS/MS using LC-HRMS, and this data can be useful for providing metabolite information for the interpretation of mass spectra of anabolic bolasterone analogues for doping screening tests. English John Wiley & Sons Ltd. Metabolites identification of anabolic steroid bolasterone in vitro and in rats by high resolution liquid chromatography mass spectrometry Article 10.1002/dta.3447 1 Drug Testing and Analysis, v.15, no.11-12, pp.1329 - 1343 Drug Testing and Analysis 15 11-12 1329 1343 Y scie scopus 000924408100001 2-s2.0-85147426702 Biochemical Research Methods Chemistry, Analytical Pharmacology & Pharmacy Biochemistry & Molecular Biology Chemistry Pharmacology & Pharmacy Article COLLISION-INDUCED DISSOCIATION metabolism rats bolasterone high resolution mass spectrometry in vitro