基于UPLC-TOF/MS的苍耳子不同部位化学成分研究

Study on the Chemical Composition in Different Parts of Xanthii Fructus Based on UPLC-TOF /MS

目的:建立测定苍耳子不同部位化学成分的UPLC-TOF/MS分析方法。方法:运用UPLC-TOF/MS分析技术,进行梯度洗脱分离,洗脱液不经紫外检测器直接导入质谱系统,采用ESI离子源,进行正负离子扫描,采集两种模式下的UPLC-MS图谱,通过MasslynxV4.1数据分析软件,进行色谱峰的提取和匹配,依据元素组成分析参数确定分子式。结果:从苍耳子的水提取物中确定了33个离子峰,通过对照品比对和元素组成分析检索,对其中11个离子峰进行化学成分的归属。同时对苍耳子各离子峰进行了药材部位归属,22个来源于苍耳子刺,31个来源于去刺苍耳子,其中20个为共有的离子峰。结论:该研究建立的UPLC-MS法简便、准确、专属性强,同时对苍耳子中的各化学成分进行了药材部位归属,明确其来源,为苍耳子中的有毒化学成分以及临床安全用药提供科学依据。

Objective ：To analyze the chemical composition in Xanthii Fructus by UPLC-ESI-TOF/MS. Methods：UPLC-ESI-TOF/ MS was used to analyze the samples in positive and negative mode, Masslynx V4. 1 workstation was used to analyze data. Through calculating accuracy mass and isotopic fit value of the molecular ion cluster, molecular formula was confirmed. Results：33 peaks were detected from the water extract of Xanthii Fructus, 11 peaks were identified by reference substance and elemental composition analysis. 22 peaks were from Xanthim thorn,31 peaks were from the fruit without stab,20 of them were identical. Conclusion： This method is convenient ,accurate and specific ,and can be used to find out which parts the component belong to in Xanthium. This study can provide scientific evidence to distinguish the toxic component of Xanthii Fructus and guide clinical medication safety .