首页|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

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

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

UPLC-Q Exactive Focus MS/MSQingre Liangxue Formulachemical constituent analysisstructural identificationcleavage pattern

刘家邑、刘静、吴豆豆、蔡锐、白彦萍

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北京中医药大学中日友好临床医学院,北京 100029

陕西省中医药研究院,陕西 西安 710003

中日友好医院,北京 100029

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

国家自然科学基金国家中医药局岐黄学者支持项目(2021)

82074445国中医药人教函[2022]6号

2024

中国药业
重庆市食品药品监督管理局

中国药业

CSTPCD
影响因子:1.369
ISSN:1006-4931
年,卷(期):2024.33(12)