Identification of Chemical Constituents of Picrorhiza Scrophulariiflora Pennell Based on UPLC-Q-TOF-MS/MS

OBJECTIVE To detect the chemical constituents in Picrorhiza scrophulariiflora Pennell by ultra-high performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS/MS).

METHODS The separation was performed on ACQUITY UPLC HSS T3 C₁₈ chromatographic column(2.1 mm×150 mm, 1.8 μm) with gradient elution of 0.1% formic acid acetonitrile solution and 0.1% formic acid aqueous solution at a flow rate of 0.3 mL·min⁻¹. Positive and negative ion mode data were collected with an electrospray ion source. The chemical constituents of Picrorhiza scrophulariiflora Pennell were identified by comparing the retention time and the mass data with those of the reference substances as well as the accurate mass, secondary fragment ions and mass spectrometry databases.

RESULTS A total of 70 compounds were identified from Picrorhiza scrophulariiflora Pennell, including 25 iridoids, 15 cucurbitane type tetracyclic triterpenoids, 11 phenylethanol glycosides, 12 phenolic glycosides, 4 phenolic acids and 3 oligosaccharides. Of these, 10 iridoids, 10 cucurbitane type tetracyclic triterpenoids, 3 phenolic glycosides, 4 phenolic acids, and 3 oligosaccharides were identified through comparison with established reference standards.

CONCLUSION This method can quickly and accurately identify a variety of chemical components in Picrorhiza scrophulariiflora Pennell, which would provide a reference for discovery of pharmacological substances and development of quality control.