目的 对首荟通便胶囊化学成分及其裂解规律进行系统分析，并探索其治疗便秘的潜在质量标志物（quality marker，Q-Marker）。方法 采用GC-MS和UPLC-Q-Exactive MS技术对首荟通便胶囊中化学成分进行定性分析，并根据Q-Marker判定的"五原则"，对其潜在的Q-Marker进行研究。结果 通过GC-MS数据库匹配，从挥发油中共鉴定出7个化合物，包括炔醇类1个和6个脂肪酸类。通过质谱信息并结合对照品、相关文献、数据库检索，LC-MS共鉴别出了60个化合物，包括蒽醌类10个、蒽醌苷类5个、糖苷类12个、黄酮类11个、黄酮苷类4个、皂苷类4个、香豆素类2个、萘并吡喃酮类1个、内酯类2个、蒽酮苷类2个、脂肪酸类1个、有机酸类1个、倍半萜类1个、多酚类1个和其他类化合物3个。结合有效、特有、传递与溯源、可测和处方配伍的原则，预测出2，3，5，4'-四羟基二苯乙烯-2-O-β-D-葡萄糖苷、芦荟大黄素、橙黄决明素、槲皮素、L-羟脯氨酸、人参皂苷、苍术酮和柚皮素等8种成分可能为首荟通便胶囊的Q-Marker。结论 建立了首荟通便胶囊的GC-MS和UPLC-Q-Exactive MS的分离鉴定方法，并预测了首荟通便胶囊的Q-Marker，为阐释该复方的功效物质基础及质量标准提升提供了依据。

Objective To systematically analyze the chemical composition and fragmentation law of Shouhui Tongbian Capsule (首荟通便胶囊), and explore its potential quality markers for the treatment of constipation. Methods The chemical constituents of Shouhui Tongbian Capsule were qualitatively analyzed by GC-MS and UPLC-Q-Exactive MS. And according to the "five principles" of Q-Marker, the potential Q-Marker is studied. Results Seven compounds (one alkynols and six fatty acids) were identified from essential oil by GC-MS. And a total of 60 compounds (10 anthraquinones, five anthraquinone glycosides, 12 glycosides, 11 flavonoids, four flavonoid glycosides, four saponins, two coumarins, one naphthopyrones, two lactones, two anthrone glycosides, one fatty acid, one organic acid, one sesquiterpenoid, one polyphenol and three other compounds) were identified by UPLC-Q Exactive MS and combined with reference materials, related literature, database retrieval. Combining the principles of effectiveness, specificity, transmission and traceability, measurability and prescription compatibility, 2,3,5,4'-tetrahydroxy stilbene-2-Ο-β-D-glucoside, aloe emodin, aurantio-obtusin, quercetin, L-hydroxyproline, ginsenoside, atractylone and naringenin may be the Q-Marker of Shouhui Tongbian Capsule. Conclusion In this study, the separation and identification methods of Shouhui Tongbian Capsule by GC-MS and UPLC-Q Exactive MS were established, and the Q-Marker of Shouhui Tongbian Capsule was predicted, which provided a basis for explaining the functional material basis and improving the quality standard of Shouhui Tongbian Capsule.

R284.1

山东省重点研发计划（重大科技创新工程）（2021CXGC010508）