Analysis of Chemical Constituents of Wu-Zhu-Yu Decoction by UPLC-Q-Orbitrap HRMS Method Combined with Molecular Network
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,1.8 μm)is performed for chromatographic separation.Heated electrospray i-onization 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 im-ported 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.
Wu-Zhu-Yu decoctionhigh-resolution mass spectrometrymolecular networkcomponent character-ization
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