基于UHPLC-Q Exactive MS的分子网络技术快速分析龙葵叶物质成分  

Rapid identification of the chemical compounds in the leaves of Solanum nigrum L.based on UHPLC-Q Exactive MS and molecular network technology

作　　者：董现龙 杨琳娇 秦雪梅[1] 李震宇[1] DONG Xian-long;YANG Lin-jiao;QIN Xue-mei;LI Zhen-yu(Modern Research Center for Traditional Chinese Medicine,the Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education,Shanxi University,Taiyuan 030006,China)

机构地区：[1]山西大学化学生物学与分子工程教育部重点实验室,中医药现代研究中心,山西太原030006

出　　处：《药学学报》2023年第4期1003-1013,共11页Acta Pharmaceutica Sinica

基　　金：山西省现代农业产业技术体系建设专项资金资助(2021-11)。

摘　　要：龙葵(Solanum nigrum L.)全草均可入药。本研究采用UHPLC-Q Exactive高分辨质谱结合GNPS分子网络(global natural products social molecular networking),对龙葵叶的化学成分进行快速表征。通过与文献报道数据比较,并结合质谱裂解特征规律分析,以及GNPS分子网络中已知和未知节点的关联分析,从龙葵叶中共鉴定157个化合物,包括甾体生物碱30个,甾体皂苷61个,黄酮类35个,氨基酸、有机酸等其他类型化合物31个。与龙葵果和龙葵茎相比,龙葵叶中甾体皂苷、甾体生物碱、黄酮类成分的种类均较为丰富,本研究结果为龙葵药材资源的精准利用奠定了基础。The whole herb of Solanum nigrum L.can be used as the herbal drug.In this study,UHPLC-Q Exactive high resolution mass combined with GNPS molecular network was used for the rapid characterization of the components in the leaves of S.nigrum L.A total of 157 compounds were identified,including 30 steroid alkaloids,61 steroid saponins,35 flavonoids,and 31 other compounds(amino acids and organic acids),by comparison with the data reported in the literature,and mass fragmentation characteristics analysis,as well as the correlation of known and unknown nodes in the GNPS molecular network.Compared with the fruits and stems,the leaves of S.nigrum L was rich in a variety of steroidal saponins,steroidal alkaloids,and flavonoids,and the results lay the foundation for the precise resources utilization of S.nigrum L.

关 键 词：UHPLC-Q Exactive MS 龙葵 GNPS分子网络 甾体生物碱 甾体皂苷 黄酮 

分 类 号：R917[医药卫生—药物分析学]