基于超高效液相色谱-电喷雾-飞行时间质谱的川芎化学成分的快速分析

Ultra-performance liquid chromatography coupled with electrospray ionization/quadrupole time-of-flight mass spectrometry for the rapid analysis of constituents in Chuanxiong Rhizoma

目的建立一种超高效液相色谱-电喷雾-飞行时间质谱(UPLC-ESI-TOF/MS)快速鉴定中药化学物质的方法,用于中药川芎的化学成分分析。方法利用UPLC-ESI-TOF/MS采集全扫描色谱图及MS/MS质谱图,通过分子离子、准分子离子或其加和离子的精确质量及相应的同位素拟合度,分析确定其元素组成;数据库或文献检索、匹配该元素组成的化学结构;通过MS/MS数据解析,表征或鉴定化合物结构;并通过文献或对照品确证。结果共鉴定或表征了川芎药材中的30个成分:20个苯酞类化合物,2个黄酮类化合物,1个生物碱和7个酚酸类化合物。结论建立了一种快速鉴定中药化学成分的方法,并成功应用于中药川芎的化学成分分析。

Objective A method using ultra-performance liquid chromatography with electrospray ionization-time of flight mass spectrometry （UPLC-ESI-TOF-MS） was developed to analyze the constituents in Chuanxiong Rhizoma . Methods A hyphenated ESI and Q-TOF analyzer was used for the determination of the accurate mass of the protonated or deprotonated molecule and fragment ions in both positive and negative modes.And automated metabolynx analysis was used to rapidly separate and identify the chemical constituents of Chuanxiong Rhizoma . Results A total of 30 compounds including 20 phthalides,2 flavonoids,1 alkaloid and 7 phenolics were simultaneously separated and identified or tentatively elucidated in Chuanxiong Rhizoma . Conclusion In this study,a rapid and sensitive UPLC-ESI-TOF/MS approach was established for the separation and identification of chemical constituents in traditional Chinese medicine,and was successfully applied to characterize the chemical constituents of Chuanxiong Rhizoma .