基于UPLC-Q-Exactive-Orbitrap-MS技术分析丹黄膏的化学成分OA

Rapid qualitative identification of the chemical constituents of Danhuang Ointment was performed using UPLC-Q-Exactive-Orbitrap-MS.Chromatographic separation was carried out on a Waters ACQUITY UPLC HSS T3 C18 column using 0.1%formic acid-water solution(phase A)and methanol(phase B)as the mobile phase at a flow rate of 0.3 mL/min with a column temperature of 40℃,and an injection volume of 2 μL.Mass spectrometry was performed using an electrospray ionization(ESI)source in both positive and negative ion modes for full-mass scanning/data-dependent secondary scanning(Full MS/dd-MS2).The retention times,quasi-molecular ions,and characteristic fragment ions of the compounds obtained from the analysis were compared with those reported in the literature and with the reference standards for rapid qualitative identification of the chemical constituents in Danhuang Ointment.A total of 172 compounds were identified,including 48 sesquiterpenoids,32 flavonoids,24 quinones,15 phenylpropanoids,14 organic acids,9 saccharides,7 phthalides,5 amino acids,and 18 other compounds.The UPLC-Q-Exactive-Orbitrap-MS technique enabled rapid qualitative identification of the chemical constituents of Danhuang Ointment.These results provide reference information for further research on the pharmacodynamic material basis,mechanisms of action,and quality control of Danhuang Ointment.