基于超高效液相色谱-四极杆飞行时间质谱联用技术分析芍丹颗粒中化学成分  

Analysis of chemical composition in Shaodan Granules by UHPLC-Q-TOF-MS

作　　者：林松 林小青 LIN Song;LIN Xiaoqing(Department of Pharmacy,Fuzhou Second General Maternity and Child Health Care Hospital,Fujian Province,Fuzhou350008,China;School of Pharmacy,Fujian University of Traditional Chinese Medicine,Fujian Province,Fuzhou350003,China)

机构地区：[1]福州市第二总医院妇幼保健院药剂科,福建福州350008 [2]福建中医药大学药学院,福建福州350003

出　　处：《中国当代医药》2025年第6期4-9,共6页China Modern Medicine

摘　　要：目的采用超高效液相色谱-四极杆飞行时间质谱联用技术(以下简称“UHPLC-Q-TOF-MS”)分析芍丹颗粒中的化学成分。方法采用电喷雾离子源(ESI)对芍丹颗粒溶液进行电离,正、负离子模式扫描,测定芍丹颗粒化学成分的分子离子峰及二级质谱碎片离子峰,通过比对样品与15个对照品及文献数据报道的质谱碎片离子峰和保留时间,分析芍丹颗粒化学成分的来源和归属。结果通过质谱获得的分子离子峰实测值、离子形式、分子式和二级质谱特征碎片与PubMed、中国知网、SeiFinder等数据库文献及对照品比对分析,从芍丹颗粒共鉴定出5个内酯、4个酚酸、2个菲醌、3个生物碱,以及单萜、倍半萜、二萜等萜类,有机酸等33个成分,并明确这33个主成分均来源于芍丹颗粒原药材。结论建立的UHPLC-Q-TOF-MS定性分析方法,可以简便、快速地检测芍丹颗粒中的化学成分,为芍丹颗粒的质量控制及后续研发提供依据。Objective The chemical composition of Shaodan Granules are analyzed by ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(hereinafter referred to as"UHPLC-Q-TOF-MS").Methods The solution of Shaodan Granules was ionized by electrospray ionization(ESI),positive and negative ion pattern scanning,and the molecular ion peak and secondary mass spectrometry fragment ion peak of the chemical composition of Shaodan Granules were determined.The source and attribution of the chemical composition of Shaodan Granules were analyzed by comparing the mass spectrometry fragment ion peak and retention time of the sample with 15 reference products and literature data.Results The measured value of molecular ion peak,ion form,molecular formula and secondary mass spectrometry characteristic fragments obtained by mass spectrometry were compared with PubMed,CNGI,SeiFinder and other databases and reference materials.A total of 5 lactones,4 phenolic acids,2 phenanthrene quinone,3 alkaloids and terpenes such as monoterpenes,sesquiterpenes and diterpenes were identified from Shaodan Granules.A total of 33 components,such as organic acids were determined to be derived from Shaodan Granules.Conclusion The established UHPLC-Q-TOF-MS qualitative analysis method can detect the chemical composition of Shaodan Granules easily and quickly,and provide a basis for the quality control and follow-up research and development of Shaodan Granules.

关 键 词：芍丹颗粒 主成分分析 药物研发 药品评价 

分 类 号：R286.0[医药卫生—中药学]