基于UPLC-LTQ-Orbitrap高分辨质谱的葛根芩连汤的化学成分分析

目的基于超高效液相色谱-离子阱-静电场轨道阱质谱(UPLC-LTQ-Orbitrap-MS)的分析方法鉴定葛根芩连汤中化学成分。方法采用色谱柱Dikma Endeavorsil C18(100 mm×2.1 mm,1.8μm),流动相为0.1%甲酸水(A)-乙腈(B),体积流量0.3 mL/min,梯度洗脱。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,从葛根芩连汤中鉴定出67个化合物,包括黄酮类36个、生物碱类12个、三萜类及三萜皂苷类4个及其他15个。结论利用UPLC-LTQ-Orbitrap-MS系统阐明葛根芩连汤中化学成分,并初步归纳其各类主要化学成分的质谱裂解特点,为葛根芩根芩连汤的质量控制和作用机制研究提供了参考依据。

Chemical constituent analysis of Gegen Qinlian Decoction based on UPLC-LTQ-Orbitrap-MS

Objective Identification of chemical constituents from Gengen Qinlian Decoction by UPLC-LTQ-Orbitrap-MS. Methods The analysis was performed on Dikma Endeavorsil C18(100 mm × 2.1 mm, 1.8 μm) 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-LTQ-Orbitrap-MS was equipped with an Electrospray ionization ion probe and MS1 and MS2 data of samples were collected in positive and negative ion mode, respectively. Results A total of 67 constituents were identified from Gegen Qinlian Decoction by reference substance identification, software prediction analysis and related literature reports, including 36 flavonoids, 12 alkaloids, four triterpenoids and triterpenoid saponins, and 15 other ingredients. Conclusion In this study, UPLC-LTQ-Orbitrap-MS was used to systematically elucidate the chemical constituents of Gegen Qinlian Decoction, and the fragmentation characteristics of its main chemical constituents were preliminarily explained and summarized, which provided a reference for the quality control and mechanism research of Gegen Qinlian Decoction.