UPLC-Q-TOF/MS技术结合UNIFI软件分析肝复乐化学成分  

Identification of chemical constituents in Ganfule by UPLC-Q-TOF/MS combined with UNIFI software

作　　者：徐菲[1] 潘宇[1,2] 李涵颖 曾杨丽 蔡思 李娟 李顺祥[1] XU Fei;PAN Yu;LI Han-ying;ZENG Yang-li;CAI Si;LI Juan;LI Shun-xiang(Hunan University of Traditional Chinese Medicine,Hunan Engineering Research Center for Active Substance Screening of Traditional Chinese Medicine,Changsha 410208,China;Guangxi Zhuang Autonomous Region Medicinal Botanical Garden,Nanning 530023,China)

机构地区：[1]湖南中医药大学湖南省中药活性物质筛选工程技术研究中心,长沙410208 [2]广西壮族自治区药用植物园,南宁530023

出　　处：《药物分析杂志》2021年第5期760-778,共19页Chinese Journal of Pharmaceutical Analysis

基　　金：国家自然科学基金地区科学基金项目(81960797);湖南省大学生创新创业训练计划(s202010541050);长沙市科技局计划项目(kp1907140);长沙市科技局计划项目(kp1801043);湖南中医药大学中药学一流学科项目(2018ZYX02)资助。

摘　　要：目的:采用超高效液相色谱串联四极杆飞行时间质谱联用技术(UPLC-Q-TOF/MS)对肝复乐中多种成分进行系统分析,为其抗肝癌药效的物质基础和质量控制升级研究提供科学依据。方法:使用TCM Chinese在线化学成分数据库建立包括化合物名称、分子式和精确相对分子质量的肝复乐各药材化学成分数据库,采用UNIFI软件将UPLC-Q-TOF/MS扫描的化合物信息与数据库比对,并结合对照品的质谱数据及相对保留时间,参考相关文献完成对肝复乐中化学成分的结构鉴定。结果:共鉴定出肝复乐中78个化学成分,主要是苯丙素、黄酮、蒽醌、生物碱及萜类成分。黄酮类主要来自半枝莲、沉香、陈皮、苏木等,三萜类主要来自于柴胡、茯苓、黄芪、木通等药材,倍半萜类、蒽醌类、苯丙素类、甾体类分别来自于处方中的白术、大黄、苏木、重楼。生物碱类成分来源于党参、半枝莲和黄芪。结论:对肝复乐化学成分的鉴别与分类,为下一步深入研究该复方抗肝癌的药效物质基础和产品质量控制升级提供思路。Objective:To provide scientific basis for the research on the material basis and quality control upgrade of Ganfule anti-liver cancer efficacy,by using UPLC-Q-TOF/MS technology to systematically analyze the various components in Ganfule.Method:TCM Chinese online chemical composition database is used to establish a chemical composition database of Ganfule’s medicinal materials,including compound names,molecular formulas and precise relative molecular masses.The compound information scanned by UPLC-Q-TOF/MS was compared with the database by UNIFI software,and the structure identification of the chemical components in Ganfule was completed by referring to the mass spectrometry data and relative retention time of the reference substance.Results:A total of 78 chemical components have been identified in Ganfule,including phenylpropanoid,flavonoids,triterpenoids,alkaloids,anthraquinonoids and other components.Flavonoids mainly came from herbs such as scutellaria barbata,agarwood,tangerine peel and logwood,etc.Triterpenoids mainly came from bupleurum,poria,astragalus,akebia stem and other medicinal raw materials.Sesquiterpenoids,anthraquinonoids,phenylpropanoids,and steroids came from the atractylodes,rhubarb,logwood and paris polyphylla.The alkaloids came from codonopsis,scutellaria barbata and astragalus.Conclusion:The identification and classification of the chemical components of Ganfule can provide ideas for further study on the material basis of the anti-hepatoma effect and the improvement of the product quality control.

关 键 词：肝复乐 UPLC-Q-TOF/MS 化学成分鉴定 黄酮 萜类 生物碱 

分 类 号：R917[医药卫生—药物分析学]