基于超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法的清热凉血方化学成分分析  

Chemical Constituent Analysis of Qingre Liangxue Formula Based on UPLC-Q Exactive Focus MS/MS

作　　者：刘家邑 刘静 吴豆豆 蔡锐 白彦萍[3] LIU Jiayi;LIU Jing;WU Doudou;CAI Rui;BAI Yanping(China-Japan Friendship Clinical Medical College,Beijing University of Chinese Medicine,Beijing,China 100029;Shaanxi Academy of Traditional Chinese Medicine,Xi'an,Shaanxi,China 710003;China-Japan Friendship Hospital,Beijing,China 100029)

机构地区：[1]北京中医药大学中日友好临床医学院,北京100029 [2]陕西省中医药研究院,陕西西安710003 [3]中日友好医院,北京100029

出　　处：《中国药业》2024年第12期49-57,共9页China Pharmaceuticals

基　　金：国家自然科学基金[82074445];国家中医药管理局2021年岐黄学者支持项目[国中医药人教函〔2022〕6号]。

摘　　要：目的研究清热凉血方的化学成分。方法查阅中国知网、PubChem等数据库,检索清热凉血方药材化学成分的相关文献,建立化学成分数据库。采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱(UPLC-Q Exactive Focus MS/MS)法分析该方剂的图谱数据,并以Xcalibur 4.0软件拟合分子式,与自建数据库信息进行匹配,初步推测分子式信息,并结合相关化学成分数据和文献信息对目标化学成分进行鉴定和确证。结果共鉴定出66个化学成分,包括单萜苷类20个,酚酸类10个,环烯醚萜苷类8个,糖苷类、没食子酰葡萄糖类各4个,有机酸类、苯乙醇苷类、香豆素类各2个,苯丙素类、生物碱类、黄酮类、环肽类、萘醌类、糠醛类各1个,其他类8个。结论所建立的方法可系统地对清热凉血方中的化学成分进行定性分析。Objective To study the chemical constituents of Qingre Liangxue Formula.Methods Studies on the chemical constituents of relevant medicinal herbs of Qingre Liangxue Formula in the CNKI,PubChem and other databases were searched to establish a chemical constituent database.The spectral data of the formula were analyzed by the ultra-high-performance liquid chromatography quadrupole/electrostatic field orbitrap high-resolution mass spectrometry(UPLC-Q Exactive Focus MS/MS)method,the molecular formulas were fitted by the Xcalibur 4.0 software and matched with the information of the self-built database to preliminarily infer the molecular formula information.On this basis,the target chemical constituents were identified and confirmed according to relevant chemical constituent data and study information.Results Sixty-six chemical constituents were identified,including twenty monoterpenoid glycosides,ten phenolic acids,eight iridoid glycosides,four glycosides,four galloylglucoses,two organic acids,two phenylethanoid glycosides,two coumarins,one phenylpropanoid,one alkaloid,one flavone,one cyclic peptide,one naphthoquinone,one furfural and eight other constituents.Conclusion The established method can systematically and qualitatively analyze the chemical constituents in the Qingre Liangxue Formula.

关 键 词：超高效液相色谱-四极杆/静电场轨道阱高分辨质谱 清热凉血方 化学成分分析 结构鉴定 裂解规律 

分 类 号：R917[医药卫生—药物分析学] R927[医药卫生—药学]