UPLC-Q TOF MS/MS with SWATH method for simultaneous qualitative and quantitative analysis of chemical constituents in Elephantopi Herba
Objective:To systematically characterize and simultaneous determine 13 chemical components(neochlorogenic acid,chlorogenic acid,cryptochlorogenic acid,luteolin-7-glucuronide,cynaroside,isochloro-genic acid B,isochlorogenic acid A,apigenin-7-glucuronide,isochlorogenic acid C,deoxyelephantopin,isode-oxyelephantopin,isoscabertopin and scabertopin)in Elephantopi Herba based on ultra performance liquid chroma-tography-quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q TOF MS/MS).Methods:UPLC-Q TOF MS/MS technology combined with sequential window acquisition of all theoretical mass spectra(SWATH)mode was used to collect data of different batches of Elephantopi Herba samples.The separation was performed on a Waters HSS T3 C18(100 mm ×2.1 mm,1.8 μm)column with mobile phase consisting of acetonitrile and 0.1％for-mic acid water solution.The flow rate of gradient elution was 0.4 mL·min-1,the column temperature was 35 ℃and the injection volume was 2 μL.The electrospray ionization(ESI)source was employed to collect data under both positive and negative ion modes.With reference to reference substances and relevant literatures,chemical com-ponents in Elephantopi Herba were identified.At the same time,the determination method for 13 chemical compo-nents in Elephantopi Herba was established and validated.Results:In this study,the cleavage patterns of different classes of compounds were summarized,and 36 chemical components were initially identified,including 20 organic acids,7 flavonoids,6 sesquiterpene lactones,1 coumarin and 2 other components.All of the analytes showed good linearity(r≥0.999 0)in the tested ranges.The precision,repeatability and stability of the method were good for the 13 components.The average recoveries were in the range of 94.9％-103.5％with relative standard deviations(RSDs)≤3.8％.The chemical compositions of different batches of Elephantopi Herba were basically similar,but there were certain differences in the contents of 13 components.Conclusion:In this study,comprehensive charac-terization of the chemical constituents and relative quantitative analysis of Elephantopi Herba are carried out,and a rapid and efficient qualitative analysis method of Elephantopi Herba is established by UPLC-Q TOF MS/MS,which provides a reference for the screening and rational exploitation of the medicinal substances of Elephantopi Herba,and methodological reference and data support for the quality control and development of Elephantopi Herba.
Elephantopi HerbaUPLC-Q TOF MS/MSSWATHchemical composition identificationcontent determinationquality control
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