目的 建立复方伤痛胶囊的指纹图谱，并结合多元变量统计方法发现潜在的关键质控成分。方法 采用Waters超高效液相色谱（UPLC）仪，色谱柱为Acquity UPLC^® HSS T3，流动相为乙腈-0.1%甲酸水，采用梯度程序洗脱，检测器波长设置参数为280 nm，共建立20批复方伤痛胶囊的指纹图谱。采用聚类分析、主成分分析及正交偏最小二乘法-判别分析（OPLS-DA）对图谱数据进行模式识别分析，筛选出关键质控成分，并经过化学指认。结果 共有27个色谱峰被标定，20批药物的整体相似度大于0.88，显示药物质量总体相对稳定；但基于聚类分析及主成分分析初步发现不同批次药物也存在微小差异，能够区分成两大类；进一步基于OPLS-DA发现了导致药物质量微小差异的7种主要成分，即关键质控成分；通过对照品对以上成分进行确认，分别为没食子酸、绿原酸、延胡索乙素、柚皮苷、大黄酸、Z-藁本内酯和大黄素甲醚。结论 建立的指纹图谱结合多元变量统计方法，可科学、系统地评价复方伤痛胶囊的药物批次质量，发现关键质控成分，同时能够为中药相关质控研究提供一定的研究思路。

Objective To establish the digital fingerprint of Fufang Shangtong Capsule, and discover the potential key quality control components by multivariate statistical method. Methods Ultra-high performance liquid chromatography instrument and ACQUITY UPLC^® HSS T3 chromatographic column was employed, the separation was performed with the mobile phase consisting of acetonitrile and 0.1% formic acid aqueous solution, and the detection wavelength was set at 280 nm to establish the UPLC fingerprint of Fufang Shangtong Capsules. Cluster analysis, principal component analysis and orthogonal partial least-squares method-discriminant analysis (OPLS-DA) were used to carry out pattern recognition analysis on the map data, screen out the key quality control components, and confirm the components through chemical identification. Results In this research, 27 peaks were recognised as common peaks in the fingerprint. The similarity value of the drugs were all above 0.88, indicating a relatively stable quality of the quality. Little difference was then discovered between the batches of the drug by cluster analysis and principal component analysis, which could be divided into two categories. Finally, gallic acid, chlorogenic acid, rotundine, naringin, rhein, Zartemolactone and emodin methyl ether were recognised as the key quality control components using a OPLS-DA method. Conclusions The analysis method established in this study was scientific, accurate, reliable and simple; the drug quality of Fufang Shangtong Capsules could be evaluated systematicly and comprehensively using a fingerprint combined with chemical pattern recognition technique; what's more, it will also lay a solid theoretical basis for the further quality control of traditional Chinese medicine and its preparations at the same time.

R284.1

河南省科技攻关计划（202102310191）