中文摘要：

为了解中药赤芍和白芍煎液的化学成分差异,采用UPLC-QTOF MS技术对市场上正规销售的赤芍和白芍饮片样品进行分析比较,并用主成分分析和正交偏最小二乘辨别分析进行数据统计,同时采用与标准品比较、基于自制自动化预鉴别软件的一级质谱精确质荷比分析和二级质谱碎片分析进行成分鉴别.结果表明,氧化芍药苷和芍药内酯苷分别是赤芍和白芍煎液最重要的差异性化合物.此外,赤芍药苷、1,-Obenzoylsucrose、牡丹皮苷F、牡丹皮苷C/苯甲酰羟基芍药苷、牡丹皮苷E、（1S,2S,4R）-trans-2-hydroxy-1,8-cineole-B-D-glucopyranoside、蔗糖、没食子酰芍药苷/没食子酰芍药内酯苷等在赤芍、白芍煎液中的含量差异明显.

英文摘要：

To investigate the chemical comparison between decoctions of Radix Paeoniae Rubra and Radix Paeoniae Alba, the samples from legal market were compared using ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry （UPLCQTOF MS）. Data were statistically analyzed by principal component analysis and orthogonal partial least-squares to latent structures discriminate analysis. The comparing with reference compounds, accurate m/z value analysis of TOF-MS data based on in-house software for automatic tentative identification and QTOF-MS/MS fragment analysis were applied to constituents identification. The results indicate that oxypaeoniflorin and albiflorin are the most important differential constituents in the decoctions of Radix Paeoniae Rubra and Radix Paeoniae Alba, respectively. Moreover, the contents of benzoylsucrose, mudanpioside F, mudanpioside C/benzoloxypaeoniflorin, mudanpioside E, （1S, 2S, 4R） -trans-2-hydroxy-1,8-cineole-B-D-glucopyranoside, saccharose and galloylpaeoniflorin/galloylalbiflorin may also be of significant difference for two kinds of decoctions.