摘要
采用UPLC-Q-Orbitrap HRMS技术结合分子网络,全面快速地分析和鉴定吴茱萸汤中的化学成分。使用Waters Acquity UPLC HSS T3型色谱柱(150 mm×2.1 mm,1.8μm)进行色谱分离,离子源为HESI,在正、负离子模式下进行数据采集。随后,将质谱数据导入GNPS平台生成分子网络对化合物进行分类,再将质谱数据导入Compound Discover 3.2软件进一步对化合物进行鉴定。最终在吴茱萸汤中共鉴定出100个化合物,其中以黄酮类、生物碱类、有机酸类、萜类、糖类化合物为主,还有少量的苯丙素类、苯酚类、苷类化合物。其分析方法和结果对中药复杂体系的成分表征具有借鉴价值。
The ultra performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry(UPLC-Q-Orbitrap HRMS)technique combined with molecular network is used for the comprehensive and rapid analysis and identification of the chemical components in Wu-Zhu-Yu decoction.Waters Acquity UPLC HSS T3 column(150 mm×2.1 mm,1.8μm)is performed for chromatographic separation.Heated electrospray ionization source(HESI)is applied for data acquisition in positive and negative ion modes.The acquired mass spectrometry data are imported into the GNPS platform to generate a molecular network.Meanwhile the data are imported into Compound Discover 3.2 software for further compound identification.In this research,the components of Wu-Zhu-Yu decoction are quickly classified and a total of 100 compounds are finally identified in Wu-Zhu-Yu decoction,including flavonoids,alkaloids,organic acids,terpenoids,sugars,phenylpropanoids,phenols,and glycosides.In this study,molecular network combined with HRMS technique is utilized for the rapid classification and characterization of the chemical components of Wu-Zhu-Yu decoction,which is valuable for the characterization of complex systems of Traditional Chinese Medicine.
作者
迟呈林
李彩红
李文静
李宗超
刘荣霞
CHI Chenglin;LI Caihong;LI Wenjing;LI Zongchao;LIU Rongxia(School of Pharmacy,Key Laboratory of Molecular Pharmacology and Drug Evaluation(Yantai University),Ministry of Education,Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong,Yantai University,Yantai 264005,China)
出处
《烟台大学学报（自然科学与工程版）》
CAS
2024年第2期240-248,共9页
Journal of Yantai University(Natural Science and Engineering Edition)
基金
国家自然科学基金资助项目(81973513)。
关键词
吴茱萸汤
高分辨质谱
分子网络
成分表征
Wu-Zhu-Yu decoction
high-resolution mass spectrometry
molecular network
component characterization
