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

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.