目的 采用超高效液相色谱-四级杆飞行时间质谱（UHPLC-Q-TOF-MS）定性分析通络明目胶囊（Tongluo Mingmu Capsule，TLMMC）的化学成分谱。方法 固定相为Acquity Uplc HSS T3色谱柱（100 mm×2.1 mm，1.8 µm），流动相A为0.1%甲酸水溶液，流动相B为0.1%甲酸乙腈溶液，梯度洗脱，体积流量0.30 mL/min，进样量5 mL。整合中药系统药理学数据库（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）、中药综合数据库（traditional Chinese medicine integrated database，TCMID）、ChemSpider（http://www.ChemSpider.com/）、Chemical Book（http://www. chemicalbook.com/）和相关文献，建立了TLMMC的内部数据库。根据已有对照品的相对分子质量与质谱碎片离子信息，结合上述内部数据库对成分进行定性鉴别。结果 从TLMMC中共定性鉴别了82种化学成分，采用已有对照品的保留时间、精确相对分子质量及碎片离子的对比，确定了其中42种成分；通过精确相对分子质量及碎片离子的比对推测了另外40种成分的可能存在。82种化学成分包括36种黄酮、11种三萜皂苷、11种单萜、8种蒽醌以及16种其他化合物；其中13种化学成分来自黄芪、13种化学成分来自银杏叶、8种化学成分来自赤芍、8种化学成分来自墨旱莲、6种化学成分来自地黄、6种化学成分来自粉葛、5种化学成分来自决明子、5种化学成分来自大黄、5种化学成分来自三七、5种化学成分来自蒲黄、4种化学成分来自女贞子、4种化学成分来自地龙。结论 建立的UHPLC-Q-TOF-MS法可快速、全面地分析TLMMC的化学轮廓；采用该方法共鉴定了82种成分，涵盖制剂中的全部12味中药。本结果较为系统地阐明了TLMMC的药效物质基础，为其起效机制的解析和临床合理应用奠定基础。

Objective A ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) was developed to analyze the chemical compositions of Tongluo Mingmu Capsule (TLMMC). Methods Gradient elution was performed using an Acquity Uplc HSS T3 column (100 mm × 2.1 mm, 1.8 μm) with the mobile phase A of 0.1% formic acid in water and the mobile phase B of 0.1% formic acid in acetonitrile. The flow rate and the injection volume were set to be 0.30 mL/min and 5 μL, respectively. Through the integration of ChemSpider (http://www.ChemSpider.com/), traditional Chinese medicine comprehensive database (TCMID), traditional Chinese medicine systems pharmacology database (TCMSP), Chemical Book (http://www.chemicalbook.com/) and relevant literatures created an internal database for TLMMC. Those chemical components were identified using the internal database previously indicated, mass spectrometry fragment ion information and the relative molecular weight of the reference material. To identify the components the internal database described above, mass spectrometry fragment ion information, and the relative molecular weight of the reference material were used. Results A total of 82 chemical components were qualitatively identified from TLMMC, in which 42 components were determined by comparing the retention time, precise molecular weight and fragment ions of existing reference standards. Other 40 components were predicted according to comparison of the exact molecular weight and fragment ions. The 82 components include 36 flavonoids, eleven triterpenoids, eleven monoterpenoids, eight anthraquinones, and 16 other components. Among them 13 chemical components were from Huangqi (Astragalia Radix), 13 chemical components were from Yinxingye (Ginkgo Folium), eight chemical components were from Chishao (Paeoniae Radix Rubra), eight chemical components were from Mohanlian (Ecliptae Herba), six chemical components were from Dihuang (Rehmanniae Radix), six chemical components were from Fenge (Puerariae Thomosonii Radix), five chemical components were from Dahuang (Rhei Radix et Rhizoma), five chemical components were from Sanqi (Notoginseng Radix et Rhizoma), five chemical components were from Puhuang (Typhae Pollen), five chemical components were from Juemingzi (Cassiae Semen), four chemical components were from Nüzhenzi (Ligustri Lucidi Fructus) and other four chemical components were from Pheretima (Dilong). Conclusion The present UHPLC-Q-TOF-MS method can quickly and comprehensively analyze the chemical profiles of TLMMC, systematically elucidate its pharmacological substance basis and provide a solid theoretical foundation for the elucidation of its mechanism of action and clinical application.

R284.1

国家中药炮制技术传承基地建设项目（国中医药科技中药便函[2022] 59号）