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目的鉴定白头翁中齐墩果酸3-α-L-吡喃鼠李糖基(1→2)[β-D-吡喃葡萄糖基(1→4)]-α-L-吡喃阿拉伯糖苷(B7)在大鼠粪便的代谢产物。方法采用超高效液相色谱-三重四级杆线性离子肼复合质谱法(LC-LITMS/MS)检测大鼠灌胃B7后粪便中的代谢产物。使用Waters-SunFire C18柱(100 mm×2.1 mm,3.5μm),以0.1%甲酸水(A)-乙腈(B)为流动相梯度洗脱进行色谱分离,并与线性离子阱联用。选择增强型母离子扫描(EMS)和预测离子对扫描模式(pMRM)进行质谱扫描,采用Analyst 1.5软件进行数据处理、鉴定代谢产物的化学结构。结果在大鼠粪便检测到原型M0(B7)及M1(B7去甲基葡萄糖醛酸化产物)、M2(齐墩果酸-3-β-D-吡喃葡萄糖基(1→4)-α-L-吡喃阿拉伯糖苷)、M3(鼠李糖基(1→2)-α-L-吡喃阿拉伯糖苷)、M4(齐墩果酸-3-α-L-吡喃阿拉伯糖)和M5(齐墩果酸)等5个代谢产物。结论 B7在大鼠体内以脱糖代谢和葡萄糖醛酸化代谢为主。
OBJECTIVE To identify oleanolic acid 3-α-L-rhamnopyranosyl (1 → 2) [β-D-glucopyranosyl (1 → 4)] - α-L-arabinopyranoside B7) Metabolites of metabolites in rat feces. Methods The metabolites in the feces of rats after intragastric administration of B7 were determined by ultra performance liquid chromatography-triple quadrupole linear-ion-hydrazine mass spectrometry (LC-LITMS / MS). The chromatographic separation was performed on a Waters-SunFire C18 column (100 mm × 2.1 mm, 3.5 μm) eluting with 0.1% formic acid in water (A) -acetonitrile (B) as a mobile phase gradient and combined with a linear ion trap. Mass spectrometry was performed using Enhanced Parental (EMS) and Predicted Ion Pair Scanning (PMRM) modes and data was processed using Analyst 1.5 software to identify the chemical structure of the metabolites. Results Prototypes M0 (B7) and M1 (B7 demethylglucuronation products), M2 (oleanolic acid -3-β-D-glucopyranosyl (1 → 4) -α- L-arabinopyranoside), M3 (rhamnosyl (1 → 2) -α-L-arabinopyranoside), M4 (oleanolic acid -3-α-L-arabinopyranoside) (Oleanolic acid) and other 5 metabolites. Conclusion B7 is mainly glucose-deprived and glucuronidated in rats.