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，3.5 μm)，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 the metabolites of Pulsatilla oleanolic acid 3-α-L-rhamnopyranosyl(1→2)[β-D-glucopyranosyl-(1→4)]-α-L-pyran arabinoside(B7) in rat feces. Methods Ultra-performance liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrogram(LC-ITMS/MS) was used for analyzing the metabolites of B7 in rat feces after oral administration. Separation of the metabolites was performed on a Waters-SunFire C18 column(100 mm×2.1 mm，3.5 μm) by using a binary gradient elution with the mobile phase of 0.1 % formic acid water(A) -acetonitrile(B)，and the chromatographic separation was used together with linear ion trap. The samples were treated by enhanced MS scan(EMS) and predict multiple reaction monitoring(pMRM) mode，and then the data were processed with Analyst 1.5 software to identify the chemical structure of metabolites. Results B7(M0) and five metabolites were identified，including M1(glucuronidation desmethyl metabolite of B7)，M2(oleanolic acid 3-β-D-glucopyranosyl-(1→4)-α-L-pyranarabinoside)，M3(oleanolic acid 3-α-L- rhamnopyranosyl(1→2)-α-L-pyranarabinoside)，M4(Oleanolic acid-3-α-L-arabinopyranosyl) and M5(oleanolic acid). Conclusion The metabolic pathways of B7 in rats mainly are deglycosylation and demethylation glucuronidation.

国家“重大新药创制”科技重大专项(2011ZX11102)；江西省优势科技创新团队计划项目(2010DQB01700)；江西省自然科学基金项目(20114BAB215045)；江西省教育厅产学研合作项目(GJJ11006)。