基于UPLC-Q-TOF-MS/MS分析百蕊草醇提物的化学成分  

Analysis on chemical components of Thesium chinense Turcz.alcohol extract based on UPLC-Q-TOF-MS/MS

作　　者：周思倩 方艳[3] 谭金桃[3] 田静[3] 何苗 马丹凤[3] 龙红萍[1,2] ZHOU Si-qian;FANG Yan;TAN Jin-tao;TIAN Jing;HE Miao;MA Dan-feng;LONG Hong-ping(The First Hospital of Hunan University of Chinese Medicine,Changsha 410007,China;Hunan University of Chinese Medicine,Changsha 410013,China;Department of Pharmacy,Hunan Children′s Hospital,Changsha 410007,China)

机构地区：[1]湖南中医药大学第一附属医院,长沙410007 [2]湖南中医药大学,长沙410013 [3]湖南省儿童医院药学部,长沙410007

出　　处：《天然产物研究与开发》2022年第10期1633-1646,共14页Natural Product Research and Development

基　　金：湖南省卫生健康委科研计划(202113051694)。

摘　　要：为明确百蕊草醇提物中的化学成分,本研究采用超高效液相色谱-四极杆-飞行时间串联质谱法(UPLC-Q-TOF-MS/MS)对百蕊草醇提物的化学成分进行分析鉴定,在正、负离子模式下采集质谱数据,采用Agilent Mass Hunter B.07.00软件对采集的准分子离子峰信息进行分析,选择误差在5×10^(-6)内的分子式与TCM数据库初步比对,同时参考百蕊草相关文献、结合对照品比对、化合物精确相对分子质量、质谱碎片信息对化合物进一步鉴定。通过液质联用技术共鉴定了百蕊草醇提物54个化学成分,主要包括16个黄酮类、10个生物碱类、5个二萜类、5个有机酸类和其他类化合物,其中首次从百蕊草醇提物中发现氧化苦参碱、4-O-阿魏酰基奎宁酸、槲皮素-7-O-葡萄糖苷、槲皮素-3-O-新橙皮苷等25个化学成分,并进一步探讨了生物碱类、黄酮类和二萜类化合物的质谱裂解规律。通过UPLC-Q-TOF-MS/MS技术快速对百蕊草醇提物的化学成分进行了较为系统而全面的分析,为其探究药效物质基础、临床应用及质量控制提供参考。To clarify the chemical constituents of alcohol extract from Thesium chinense Turcz.,ultra performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS/MS)was analyzed in this study.The molecular ion peak information was analyzed by Mass Hunter B.07.00 data processing software.The molecular formula with error within 5×10^(-6) was compared with the TCM database to identify the compounds,combined with reference the related literature and control comparison,combining the precise relative molecular mass and mass spectrometry fragment information.A total of Fifty four chemical compounds in T.chinense,The main chemical constituents included 16 flavonoids,10 alkaloids,5 diterpenes,5 organic acids and other compounds.Twenty-five compounds such as oxymatrine,4-O-feruloylquinic acid,quercetin-7-O-glucopyranoside,and quercetin-3-O-neohesperidoside were identified in this genus for the first time.The mass fragmentation pattern of alkaloids,flavonoids and diterpenes was further explored.Using UPLC-Q-TOF-MS/MS technology can quickly and accurately identify the alcohol extract of chemical constituents from T.chinense,which will expand new ideas for further clinical application,and will provide the scientific theory basis for its clinical application and quality control.

关 键 词：百蕊草 醇提物 UPLC-Q-TOF-MS/MS 裂解规律 生物碱类 黄酮类 

分 类 号：R282.5[医药卫生—中药学]