[关键词]
[摘要]
目的 采用超高效液相色谱–四极杆/飞行时间串联质谱联用技术(UPLC-QTOF-MS/MS)对阿提日拉力蜜丸中化学成分进行鉴定。方法 运用UPLC-QTOF-MS/MS技术对阿提日拉力蜜丸中化学成分进行分离分析,根据高分辨质谱数据计算各化合物的精确相对分子质量,再利用Xcalibar 4.0软件拟合计算并推断各化合物的分子式,结合对照品和相关文献对各化合物进行定性鉴别。结果 共鉴定出106个化合物,包括有机酸类42个,黄酮类30个,萜类23个,其他类11个;按药材来源分类,78个来源于藏茴香,23个来源于阿纳其根,4个来源于干姜,13个来源于盒果藤根,其中12个化合物为藏茴香和阿纳其根中共有化合物。确认了绿原酸、异绿原酸B、金丝桃苷、紫云英苷可能的质谱裂解途径。结论 建立的UPLC-QTOF-MS/MS法可实现对阿提日拉力蜜丸中化学成分的鉴定,为阿提日拉力蜜丸的质量评价、药效物质基础研究提供参考。
[Key word]
[Abstract]
Objective To identify chemical constituents in Artirilali Honeyed Pills by ultra-high performance liquid chromatography quadrupole/time-of-flight tandem mass spectrometry (UPLC-QTOF-MS/MS). Methods The chemical constituents in Artirilali Honeyed Pills were separated and analyzed using UPLC-QTOF-MS/MS technology. The accurate relative molecular weights of each compound were calculated based on high-resolution mass spectrometry data. Subsequently, the molecular formulas of the compounds were deduced through fitting calculations using Xcalibar 4.0 software. Qualitative identification of the compounds was performed by comparing them with reference substances and relevant literature. Results A total of 106 compounds were identified, including 42 organic acids, 30 flavonoids, 23 terpenes, and 11 other compounds. Classified by the source of medicinal materials, 78 compounds were derived from Cari Fructus, 23 from Anacycli Pyrethri Radix, 4 from Zingiberis Rhizoma, and 13 from Operculina turpethum root. Among them, 12 compounds were shared between Cari Fructus and Anacycli Pyrethri Radix. The possible mass spectrometry fragmentation pathways of chlorogenic acid, isochlorogenic acid B, hyperoside, and astragalin were confirmed. Conclusion The established UPLC-QTOF-MS/MS method can achieve the identification of chemical components in Artirilali Honeyed Pills, providing reference for the quality evaluation and pharmacological substance basis research of Artirilali Honeyed Pills.
[中图分类号]
R284.1
[基金项目]
新疆维吾尔自治区自然科学基金面上资助项目(2023D01A05);中国科学院青年创新促进会会员项目(2022442);新疆维吾尔自治区天山英才培养计划(2022TSYCCX0023)