Structural characterization and identification of major constituents in Radix Scrophulariae by HPLC coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry

AIM:To analyze the major constituents in Radix Scrophulariae(Scrophularia ningpoensis).METHOD:Radix Scrophulariae was analyzed by HPLC coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry(ESI-Q-TOF MS/MS).Compounds were separated by HPLC using a C18 column and gradient elution of acetonitrile and 0.1%(V/V) acetic acid-water.Negative ion mode was employed.RESULTS:A total of thirty-six compounds,including fourteen iridoid glycosides,nineteen phenylpropanoid glycosides,and three organic acids,were identified from Radix Scrophulariae based on the accurate mass measurement of precursor and product ions.Twenty-one of the constituents were identified by comparing their retention times(tR) and ESI-MS/MS data with those of reference standards and/or previous publications,while another fifteen compounds were tentatively identified or deduced according to their Q-TOF MS/MS data which afforded sufficient structural information.CONCLUSION:It is believed that this study is useful for the identification of constituents in Radix Scrophulariae,as well as related plants and complex prescriptions.