质谱学报2026，Vol.47Issue(5)：759-767,9.DOI:10.7538/zpxb.2025.0132
基于超高效液相色谱-四极杆飞行时间质谱分析人尿中2-苯基-2-丙氨基环己酮及其代谢物
Identification of the Metabolites of 2-oxo-PCPr in Human Urine by UPLC-QTOF MS
摘要
Abstract
2-Phenyl-2-(propylamino)-cyclohexanone(2-oxo-PCPr)is a phencyclidine-type new psychoactive substance(NPS)with dissociative effects.Cases of its abuse have been documented in recent years;however,no data regarding its human metabolism have been reported to date.Understanding the metabolism of 2-oxo-PCPr is essential for detecting its presence in authentic forensic case samples,characterizing the resulting metabolites that may serve as biomarkers in forensic toxicology screening,and elucidating the drug's pharmacokinetics.Urine is the preferred matrix for metabolite identification in forensic toxicology analysis,as it provides an extended detection window.The present study aimed to identify the metabolites of 2-oxo-PCPr in urine by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF MS).Authentic urine samples from drug abusers were diluted with acetonitrile,followed by centrifugation.The resulting supernatant was filtered through a 0.22 μm membrane prior to analysis.The metabolites were characterized and structurally elucidated using UPLC-QTOF MS.Accurate masses of precursor and fragment ions,mass errors,and molecular formulas were determined for each metabolite.The results showed that the metabolic biotransformations of 2-oxo-PCPr in urine include hydroxylation,carbonyl reduction,dehydrogenation,dealkylation,combined biotransformations,and glucuronide conjugation.A total of 18 phase I metabolites and 8 phase II metabolites were identified,and potential metabolic pathways were proposed.Among these metabolites,M3,the product of carbonyl reduction,exhibited the strongest chromatographic response and the largest peak area,making it an optimal target metabolite for detecting 2-oxo-PCPr abuse.This study provides a theoretical basis and technical support for the identification of 2-oxo-PCPr-related abuse cases.关键词
2-苯基-2-丙氨基环己酮(2-oxo-PCPr)/人尿/超高效液相色谱-四极杆飞行时间质谱(UPLC-QTOF MS)/代谢产物/新精神活性物质(NPS)Key words
2-phenyl-2-(propylamino)-cyclohexanone(2-oxo-PCPr)/human urine/ultra performance liquid chromatography-quadrupole-time of flight mass spectrometry(UPLC-QTOF MS)/metabolite/new psychoactive substances(NPS)分类
化学化工引用本文复制引用
徐仿敏,王学虎,张强,刘凌云,吴佳蕾,陈立麒,王瑞花..基于超高效液相色谱-四极杆飞行时间质谱分析人尿中2-苯基-2-丙氨基环己酮及其代谢物[J].质谱学报,2026,47(5):759-767,9.基金项目
中央公益性科研院所基本科研业务费专项资金项目(2021JB007) （2021JB007）
无锡市2025年度公安科创人才项目(GA-2025-007号) （GA-2025-007号）
