目的 鉴定白头翁皂苷D在大鼠离体肠道菌群体外代谢产物。方法 运用超高效液相色谱-三重四级杆线性离子肼复合质谱（UPLC-Q-trap-MS）分析白头翁皂苷D体外肠道菌群孵育样品，采用Analyst 1.5软件进行数据处理，根据保留时间和各色谱峰质谱裂解规律，比较确定白头翁皂苷D在体外肠道菌群中代谢产物，同时根据质谱二级裂解规律对代谢产物结构进行推测。结果 在大鼠离体肠道菌群孵育样品中鉴定了白头翁皂苷D（M0）原型及常春藤皂苷元3-O-α-L-吡喃鼠李糖-(1→2)-α-L-吡喃阿拉伯糖苷（M1）、常春藤皂苷元3-O-β-D-吡喃葡萄糖-(1→4)-α-L-吡喃阿拉伯糖苷（M2）、常春藤皂苷元（M3）、白头翁皂苷D羟基化（M4）、白头翁皂苷D甲基化产物（M5、M6）、白头翁皂苷D脱氢产物（M7）等7个代谢产物。结论 白头翁皂苷D能够在大鼠离体肠道菌群中发生广泛的代谢。

Objective To identify the metabolites of Pulsatilla saponin D (PSD) in the intestinal microflora of rats in vitro. Methods The sample of PSD incubated in intestinal microflora of rats in vitro was analyzed by a ultraperformance liquid chromatography/hybrid triple quadrupole linear ion trap mass spectrometry (UPLC-Q-trap-MS). The data were processed with Analyst 1.5 software, and the metabolites of PSD were confirmed by comparing the retention time and MS/MS spectra. The possible structures of metabolites were proposed by analyzing the proposed fragmentation pathway. Results PSD (M0, parent) and seven metabolites were identified, including hederagenin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinosyl (M1), hederagenin 3-O-α-L-glucopyranosyl-(1→4)- α-L-arabinosyl (M2), hederagenin (M3), hydroxylation of PSD (M4), methylation of PSD (M5 and M6), and dehydrogenation of PSD (M7). Conclusion PSD has a wide range of metabolic in the intestinal microflora of rats in vitro.

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）