目的 建立同时测定丹灯通脑软胶囊中9种活性成分（丹参素、咖啡酸、迷迭香酸、丹酚酸B、丹酚酸A、丹参酮I、隐丹参酮、丹参酮II_A、熊果酸）量的UPLC-MS/MS分析方法，并采用模式识别技术综合评价其药物质量。方法 采用UPLC-MS/MS分析检测，色谱柱为Acquity UPLC^® BEH C₁₈（50 mm×2.1 mm，1.8 μm），流动相为乙腈-0.1%甲酸水溶液，梯度洗脱，体积流量为0.2 mL/min，ESI正、负离子同时采集，除熊果酸为选择离子监测（SIR）外，其余8种成分均为多反应监测（MRM）；多批次丹灯通脑软胶囊定量测定结果采用多元数据处理软件SIMCA 14.0进行模式识别分析，并评价其质量。结果 在优化的色谱质谱条件下，丹参素、咖啡酸、迷迭香酸、丹酚酸B、丹酚酸A、丹参酮I、隐丹参酮、丹参酮II_A、熊果酸分别在100.0～1 000.0、1.0～10.0、8.0～80.0、120.0～1 200.0、15.0～150.0、40.0～400.0、10.0～100.0、10.0～100.0、1.2～12.0 μg/mL线性关系良好（r≥0.999 6）；加样回收率在98%～101%，RSD小于3%；10批丹灯通脑软胶囊中各成分的平均量分别为（4.854±0.314）、（0.063±0.005）、（0.764±0.070）、（12.937±0.648）、（1.954±0.178）、（3.623±0.221）、（0.720±0.062）、（1.437±0.116）、（0.073±0.007）mg/g；定量测定数据经SIMCA 14.0软件进行分析，分析结果表明10批丹灯通脑软胶囊质量偏差均在2 SD（标准偏差，standard deviation，SD）范围内。结论 建立的UPLC-MS/MS定量分析方法简便、灵敏度高且准确性好，可用于丹灯通脑软胶囊中多种主要活性成分的快速测定；定量测定结果表明不同批次丹灯通脑软胶囊总体质量较为稳定，结果分析使用的多元数据模式识别方法可从整体上综合评价药物质量，为丹灯通脑软胶囊的质量控制研究提供新的科学依据和数据处理方法。

Objective To establish a rapid MS method for the determination of nine principal active components (danshensu, caffeic acid, rosmarinic acid, salvianolic acid B, salvianolic acid A, tanshinone I, cryptotanshinone, tanshinone II_A, and ursolic acid) in Dandeng Tongnao Soft Capsules (DTSC), in order to make a comprehensive evaluation of the quality of drugs by pattern recognition technology. Methods The UPLC-MS/MS method was used and the chromatographic conditions were as follows:The column was Acquity UPLC^® BEH C₁₈ (50 mm×2.1 mm, 1.8 μm); The mobile phase was consisted of acetonitrile-water (containing 0.1% formic acid) at a flow rate of 0.2 mL/min with gradient elution; Mass spectrometer conditions:a triple quadrupole mass spectrometer equipped with electrospray ionization source (ESI) was used in positive and negative ion mode, and multiple reaction monitoring (MRM) was performed except ursolic acid in selected ion recording (SIR) for quantitative analysis of these compounds; The results of determination were calculated by the pattern recognition function of multivariate data processing software SIMCA 14.0 to evaluate the quality of DTSC. Results Under the optimized conditions, danshensu, caffeic acid, rosmarinic acid, salvianolic acid B, salvianolic acid A, tanshinone I, cryptotanshinone, tanshinone II_A, and ursolic acid all showed good liners in the ranges of 100.0-1 000.0, 1.0-10.0, 8.0-80.0, 120.0-1 200.0, 15.0-150.0, 40.0-400.0, 10.0-100.0, 10.0-100.0, and 1.2-12.0 μg/mL, respectively (r ≥ 0.999 6). The recoveries were ranged from 98% to 101%, and RSDs were below 3%. The average contents in 10 batches of DTSC were (4.854±0.314), (0.063±0.005), (0.764±0.070), (12.937±0.648), (1.954±0.178), (3.623±0.221), (0.720±0.062), (1.437±0.116), and (0.073±0.007) mg/g, respectively. The data were analyzed by SIMCA 14.0 software, and the results showed that the quality deviation of 10 batches of DTSC was below 2 SD (standard deviation, SD) range. Conclusion The result shows that the UPLC-MS/MS method is simple, sensitive, and accurate for the rapid determination of main active components in the DTSC; It also shows that the quality of DTSC is stable in the different batches and displays an overall comprehensive evaluation of the drug quality using the multivariate data pattern recognition method, and provides a scientific basis and data processing method for the quality control of this drug.

国家自然科学基金资助项目（81272563）；郑州大学第一附属医院创新基金项目（2015）