化学试剂2026，Vol.48Issue(4)：70-85,16.DOI:10.13822/j.cnki.hxsj.2025.0320
基于UPLC-Q-Exactive-Orbitrap-MS技术分析丹黄膏的化学成分
Identification of Chemical Constituents in Danhuang Ointment Based on UPLC-Q-Exactive-Orbitrap-MS
摘要
Abstract
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.关键词
超高效液相色谱-四极杆-静电场轨道阱质谱法/丹黄膏/化学成分/倍半萜类/醌类/裂解途径Key words
UPLC-Q-Exactive-Orbitrap-MS/Danhuang Ointment/chemical constituents/sesquiterpenoids/quinones/fragmentation pathways分类
化学化工引用本文复制引用
赵胜,余青青,王力欣,夏进,郑炯,杨利,赵美,张波..基于UPLC-Q-Exactive-Orbitrap-MS技术分析丹黄膏的化学成分[J].化学试剂,2026,48(4):70-85,16.基金项目
贵州省科技计划项目(黔科合基础-ZK[2022]一般553) （黔科合基础-ZK[2022]一般553）
遵义市科技计划项目(遵市科合HZ字(2023)397号) （遵市科合HZ字(2023）
2023年度中医药、民族医药重点学科建设项目(QZYYZDXK(JS)-2023-11) （QZYYZDXK(JS）
贵州省中医药管理局中医药、民族医药科学技术研究课题项目(QZYY-2025-121). （QZYY-2025-121）
