目的 采用超高效液相色譜-四級(jí)桿飛行時(shí)間質(zhì)譜（UHPLC-Q-TOF-MS）定性分析通絡(luò)明目膠囊（Tongluo Mingmu Capsule，TLMMC）的化學(xué)成分譜。方法 固定相為Acquity Uplc HSS T3色譜柱（100 mm×2.1 mm，1.8 µm），流動(dòng)相A為0.1%甲酸水溶液，流動(dòng)相B為0.1%甲酸乙腈溶液，梯度洗脫，體積流量0.30 mL/min，進(jìn)樣量5 mL。整合中藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫(kù)（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）、中藥綜合數(shù)據(jù)庫(kù)（traditional Chinese medicine integrated database，TCMID）、ChemSpider（http://www.ChemSpider.com/）、Chemical Book（http://www. chemicalbook.com/）和相關(guān)文獻(xiàn)，建立了TLMMC的內(nèi)部數(shù)據(jù)庫(kù)。根據(jù)已有對(duì)照品的相對(duì)分子質(zhì)量與質(zhì)譜碎片離子信息，結(jié)合上述內(nèi)部數(shù)據(jù)庫(kù)對(duì)成分進(jìn)行定性鑒別。結(jié)果 從TLMMC中共定性鑒別了82種化學(xué)成分，采用已有對(duì)照品的保留時(shí)間、精確相對(duì)分子質(zhì)量及碎片離子的對(duì)比，確定了其中42種成分；通過(guò)精確相對(duì)分子質(zhì)量及碎片離子的比對(duì)推測(cè)了另外40種成分的可能存在。82種化學(xué)成分包括36種黃酮、11種三萜皂苷、11種單萜、8種蒽醌以及16種其他化合物；其中13種化學(xué)成分來(lái)自黃芪、13種化學(xué)成分來(lái)自銀杏葉、8種化學(xué)成分來(lái)自赤芍、8種化學(xué)成分來(lái)自墨旱蓮、6種化學(xué)成分來(lái)自地黃、6種化學(xué)成分來(lái)自粉葛、5種化學(xué)成分來(lái)自決明子、5種化學(xué)成分來(lái)自大黃、5種化學(xué)成分來(lái)自三七、5種化學(xué)成分來(lái)自蒲黃、4種化學(xué)成分來(lái)自女貞子、4種化學(xué)成分來(lái)自地龍。結(jié)論 建立的UHPLC-Q-TOF-MS法可快速、全面地分析TLMMC的化學(xué)輪廓；采用該方法共鑒定了82種成分，涵蓋制劑中的全部12味中藥。本結(jié)果較為系統(tǒng)地闡明了TLMMC的藥效物質(zhì)基礎(chǔ)，為其起效機(jī)制的解析和臨床合理應(yīng)用奠定基礎(chǔ)。

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

國(guó)家中藥炮制技術(shù)傳承基地建設(shè)項(xiàng)目（國(guó)中醫(yī)藥科技中藥便函[2022] 59號(hào)）