UPLC-ESI-QTOF/MS^E结合UNIFI快速分析华蟾素注射液化学成分  

Rapid identification of chemical consituents in Cinobufacini injection by UPLC-ESI-QTOF/MS^E combined with UNIFI informatics platform

作　　者：吴欢 唐卯星[2] 陶欣怡 占翔 仇静文 高波 李庆林 WU Huan;TANG Mao-xing;TAO Xin-yi;ZHAN Xiang;QIU Jing-wen;GAO Bo;LI Qing-lin(Scientific Research&Experiment Center,Anhui University of Chinese Medicine,Hefei 230038,China;School of Chemistry,Sichuan University,Chengdu 610065,China;Key Laboratory of Xin'an Medicine,Ministry of Education,Hefei 230038,China;Anhui China Resources Jin Chan Pharmaceutical Co.,Ltd.,Huaibei 235000,China)

机构地区：[1]安徽中医药大学科研实验中心,合肥230038 [2]四川大学化学学院,成都610065 [3]新安医学教育部重点实验室,合肥230038 [4]安徽华润金蟾药业股份有限公司,淮北235000

出　　处：《天然产物研究与开发》2020年第3期498-506,共9页Natural Product Research and Development

基　　金：国家自然科学基金青年项目(81903765);安徽省高等学校自然科学基金重点项目(KJ2019A0478);安徽省博士后研究人员科研活动资助项目(2017B193)。

摘　　要：采用超高效液相色谱-电喷雾离子源-四级杆飞行时间质谱(UPLC-ESI-QTOF/MS)结合UNIFI天然产物信息平台快速分析华蟾素注射液化学成分。利用QTOF/MS非信息依赖扫描的MS^E模式采集复杂组分质谱信息,将采集的质谱数据文件和自建化学成分库导入UNIFI,进行智能匹配,随后使用MassLynx工作站逐个核对。本实验共辨识76个化学成分,其中蟾蜍二烯羟酸内酯类36个、生物碱类12个(包括1种新成分)、小分子肽类13个、有机酸类7个、酰胺类4个、甾醇类2个、其他类2个。本方法能快速分离、分析华蟾素注射液复杂组分,为该制剂的毒-效成分及质量控制研究奠定了基础。To systemic analysis the chemical profile of Cinobufacini injection using ultra-high performance liquid chromatography electrospray ionization time-of-flight mass spectrometry(UPLC-ESI-QTOF/MS) in MS^E mode combined with UNIFI platform.The original MS^E data of collected samples and the self-built chemical composition database were imported into UNIFI platform.Then,the chemical constituents of Cinobufacini injection were screened automatically through UNIFI platform and checked one by one through MassLynx workstation.A total of 76 chemical components in Cinobufacini injection were identified,including 36 bufadienolides,12 alkaloids(including a new compound),13 peptides,7 organic acids,4 amides,2 sterols and 2 other components.UPLC-ESI-QTOF/MS^E combined with UNIFI informatics platform can quickly separate and analyze the complex natural products,and the results laid a foundation for further study on quality control and toxic-active ingredients of Cinobufacini injection.

关 键 词：华蟾素注射液 UPLC-ESI-QTOF/MS UNIFI 化学成分 

分 类 号：R917[医药卫生—药物分析学]