大川芎方化学成分的超高效液相色谱-电喷雾-四极杆飞行时间质谱分析

Analysis of Chemical Composition of Dachuanxiong Fang by Ultra Performance Liquid Chromatography-Electrospray Ionization-Quadrupole Time of Flight/Mass Spectrometry

目的:采用液质联用技术(LC-MS)对中药大川芎方中的化学成分进行定性分析。方法:运用ACQUITY UPLCBEH C18(2.1 mm×100 mm,1.7μm)色谱柱,乙腈-水梯度洗脱;质谱使用ESI离子源,正离子与负离子模式下采集数据。结果:通过Q-TOFMS正、负离子质谱信息及元素组成分析并结合对照品与相关文献数据对照,共鉴定出17个化合物结构,主要结构类型为:酚类、有机酸类、苯酞类及含氮类化合物。同时,对大川芎方中主要化学成分的质谱裂解规律进行了分析。结论:经超高液相色谱分离,质谱测定相对分子质量及相关文献数据信息检索可以鉴别中药复方中的成分,为寻找大川芎方的物质溯源提供依据,为中药复方成分的鉴定提供一种快速准确的分析方法。

Objective：To analyze and identify the chemical composition of Dachunxiong Fang by LC- MS. Method：The analysis was performed on an AQCUITY UPLC BEH C18 （2.1 mm×100 mm,1.7μm） column. The mobile phases were acetonitrile and water in gradient elution. ESI source was used and data were acquired in positive and negative mode. Result：The structures of 17 compounds of Dachunxiong Fang were identified by direct comparison with MS and MS2 of Q-TOF, the elemental compositions analysis, the standard substance and the data of the literature. Furthermore, the types of the compounds were phenols, organic acids, phthalides and compounds containg nitrogen. Addition, the mass spectrum characterization of the major chemical composition of Dachunxiong Fang are analyzed. Conclusion：It is a rapid and accurate method that the composition of compound prescription of traditional Chinese medicine can be identified in terms of the separation of ultra high performance liquid chromatography, the accurate molecular weights measured by MS and other information, which can trace to the source of compounds in Dachuanxiong Fang.