目的 探究柴胡-白芍药对配伍前后化学成分的整体变化情况。方法 UPLC-MS背景扣除法联合代谢组学技术对柴胡-白芍配伍前后的化学成分进行整体分析，采用UPLC-MS分析柴胡、白芍及柴胡-白芍药对各8批提取物的化学成分，并用质谱背景扣除法将柴胡-白芍药对合提物的质谱数据分别扣除白芍、柴胡单提物的质谱数据得配伍后柴胡、白芍的单提物的质谱数据，将柴胡、白芍配伍后的化学成分分别与配伍前各自的化学成分进行主成分分析（PCA）、正交偏最小二乘法判别分析（OPLS-DA），分析柴胡-白芍药对组成药味柴胡、白芍配伍前后整体化学成分的变化情况。结果 UPLC-MS检测柴胡-白芍药对共提物、柴胡及白芍单提物化学成分共57个，结合文献报道指认出其中32个。多元统计结果显示，柴胡-白芍药对配伍前后柴胡中含量发生显著变化的成分有6个，鉴定其中3个成分；白芍中含量发生显著变化的成分有3个，鉴定其中2个成分。分别为柴胡中柴胡皂苷a、3"-O-乙酰化柴胡皂苷a、4"-O-乙酰化柴胡皂苷a配伍后含量降低；白芍中芍药苷、没食子酰基芍药苷或其异构体配伍后含量升高。结论 从整体化学组成上比较了柴胡-白芍药对配伍前后的差异，为其配伍机制的阐释奠定了基础。

Objective To explore the overall change of chemical components of Bupleuri Radix-Paeoniae Radix Alba herb pair before and after compatibility. Methods The change of chemical constituents of Bupleuri Radix and Paeoniae Radix Alba before and after compatibility were analyzed based on UPLC-MS background subtraction and metabonomics. Chemical constituents of eight batches in Bupleuri Radix, Paeoniae Radix Alba, and Bupleuri Radix-Paeoniae Radix Alba were analyzed by UPLC-MS. Mass spectrometry data of the extracts of Paeoniae Radix Alba and Bupleuri Radix were respectively subtracted from mass spectrum data of the extracts of Bupleuri Radix-Paeoniae Radix Alba herb pair by mass spectrometry background subtraction method, finally mass spectrum data of chemical constituents of Bupleuri Radix and Paeoniae Radix Alba after compatibility were obtained. The chemical components of Bupleuri Radix, Paeoniae Radix Alba before and after compatibility were analyzed by PCA and OPLS-DA separately. Results A total of 57 constituents of Bupleuri Radix-Paeoniae Radix Alba herb pair, Bupleuri Radix, and Paeoniae Radix Alba were detected by UPLC-MS, and 32 of them were identified by the literature. Multivariate statistics showed that there were six ingredients which had significant changes in Bupleuri Radix before and after compatibility and three of them were identified. There were three components which were significantly changed in Paeoniae Radix Alba and two of them were identified. The saikosaponin a, 3'-O-acetylation of saikosaponin a, and 4''-O-acetylation of saikosaponin A decreased after compatibility in Bupleuri Radix, and paeoniflorin, gallic acidpaeoniflorin or their isomers increased after compatibility in Paeoniae Radix Alba. Conclusion The overall differences of chemical composition in Bupleuri Radix-Paeoniae Radix Alba before and after compatibility were compared, which laid the foundation for the explanation of its compatibility mechanism.

国家自然科学基金面上项目（81673572）；山西省应用基础研究项目（201601D021164）；山西省高校科技创新项目（2016120）