经典名方麦门冬汤化学成分的UPLC-Q-Orbitrap-MS分析

Analysis of chemical constituents of Maimendong Decoction in classical prescriptions by UPLC-Q-Orbitrap MS

目的 采用超高效液相色谱-四极杆-静电轨道阱-高分辨质谱(UPLC-Q-Exactive Orbitrap MS)对麦门冬汤的化学成分进行快速分析和鉴定。方法 采用Waters CORTECS T3 C_(18)色谱柱(2.1 mm×150 mm,1.6μm),以0.1%甲酸水(A)-乙腈(B)为流动相进行梯度洗脱,体积流量为0.3 mL/min。质谱采用ESI源,正负离子模式分别采集一级、二级质谱数据。结果 通过对照品指认、软件预测分析、结合文献报道、质谱裂解规律分析,从麦门冬汤中共鉴定出141个化学成分,包括黄酮及其苷类54个、高异黄酮类27个、三萜类40个、甾体皂苷类7个、苯丙素类7个和其他类6个。结论 采用UPLC-Q-Orbitrap-MS技术可以系统、快速地鉴定麦门冬汤全方的物质基础,为该复方进一步药效物质基础研究及质量控制的建立提供了实验依据。

Objective An ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS) method was developed to rapidly analyze and identify the chemical constituents from the Maimendong Decoction.Methods The analysis was performed on Waters CORTECS T3 C_(18)(2.1 mm×150 mm,1.6μm) with mobile phase of 0.1%formic acid water solution (A)-acetonitrile (B) for gradient elution at a flow rate of 0.3 mL/min.The UPLC-Q-Exactive Orbitrap-MS was equipped with an Electrospray ionization ion probe and MS~1and MS~2data of samples were collected in positive and negative ion mode,respectively.Results A total of 141 constituents were identified from Maimendong Decoction by reference substance identification,software prediction analysis,related literature reports,and fragmentation pathways analysis,including 54 flavonoids and their glycosides,27 homoisoflavonoids,40triterpenoids,7 steroidal saponins,7 phenylpropanoids and 6 other components.Conclusion The established method can systematically and accurately characterize the material basis of Maimendong Decoction,which can provide experimental basis for further study on the pharmacodynamic material basis and the establishment of quality control.