【摘要】 探究哈尔酚在体内的代谢产物及转化形式,阐明其生物转化途径。采用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法,分析给药后大鼠的尿液和粪便样本。通过色谱保留时间、准分子离子峰及碎片离子信息,结合Xcalibur 4.2软件解析代谢产物。在粪便中检出4种代谢产物,包括单羟基化产物(M2、M3)、葡萄糖醛酸化产物(M1)及硫酸化产物(M4),尿液中仅发现原型药物哈尔酚(M0)。表明哈尔酚在大鼠体内主要通过Ⅰ相(单羟基化)和Ⅱ相(葡萄糖醛酸化、硫酸化)代谢途径转化,代谢产物因极性增强优先随粪便排出。更多还原

【Abstract】 To explore the in vivo metabolites and transformation forms of harmol and clarify its biotransformation pathways.Urine and feces samples from rats administered harmol were analyzed using UHPLC-Q-Exactive Orbitrap-MS.Metabolites were identified based on chromatographic retention time,quasi-molecular ion peaks,and fragment ion information,and further interpreted using Xcalibur 4.2 software.Four metabolites were detected in feces,including monohydroxylated metabolites(M2,M3),a glucuronidated metabolite(M1),and a sulfated metabolite(M4).Only the parent compound harmol(MO) was found in urine.These findings indicate that harmol undergoes Phase Ⅰ(monohydroxylation) and Phase Ⅱ(glucuronidation and sulfation) metabolism in rats,with the resulting more polar metabolites being preferentially excreted via feces.更多还原