UHPLC-QE-HRMS/MS法分析鉴定岩青兰的化学成分

Analysis of chemical constituents of Dracocephalum rupestre Hance based on UHPLC-QE-HRMS/MS method

目的利用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱联用技术(UPLC-QE-HRMS/MS)技术研究岩青兰的化学成分。方法UHPLC采用色谱柱Hypersil GOLD aQ(2.1 mm×100 mm,1.9μm),柱温40℃,流动相0.1%甲酸水-乙腈梯度洗脱,流速0.4 ml/min;QE-HRMS/MS采用电喷雾离子源正负离子同时扫描;未知物鉴定分析软件进行数据处理并与谱库中化合物的一级质谱准分子离子峰,二级质谱主要碎片离子和相关文献比对筛选。结果共鉴定出31种化学成分,其中14个化合物为首次从岩青兰中鉴定。结论UPLC-QE-HRMS/MS能快速、准确鉴定岩青兰中多种化学成分,为其质量控制和药效物质基础研究提供参考。

Objective To study the chemical constituents of Dracocephalum rupestre Hance by the ultra-high performance liquid chromatography-quadrupole electric field orbitrap with high-resolution mass spectrometry(UPLC-QE-HRMS/MS).Methods UHPLC was performed on a Hypersil GOLD aQ(2.1 mm×100 mm,1.9μm)column at 40℃.The mobile phase was 0.1%formic acid water-acetonitrile with gradient elution at a flow rate of 0.4 ml/min.QE-HRMS/MS was scanned simultaneously by electron spray ionization positive and negative ions;the data were processed by the unknown identification and analysis software and compared with the first-order mass spectrometry quasi-molecular ion peak of the compound reference substance in the library,the main fragment ions of the second-order mass spectrometry and the relevant literature.Results A total of 31 chemical constituents were identified,of which 14 compounds were identified for the first time from Dracocephalum rupestre Hance.Conclusion UPLC-QE-HRMS/MS method can quickly and accurately identify a variety of chemical components in Dracocephalum rupestre Hance,and provides reference for quality control and pharmacodynamic material basis study.