青胶蒲公英化学成分鉴定及质谱裂解规律研究  

Identification of Chemical Components in Taraxacum kok-saghyz Rodin and Investigation of Mass Spectrometric Fragmentation Pathways

作　　者：孔佳琦 孟宪双[1] 尚宇瀚 董益阳[2,3] 马强[1] KONG Jia-qi;MENG Xian-shuang;SHANG Yu-han;DONG Yi-yang;MA Qiang(Chinese Academy of Inspection and Quarantine,Beijing 100176,China;College of Life Science and Technology,Beijing University of Chemical Technology,Beijing 100029,China;Rubber Plant Research Center,Beijing University of Chemical Technology,Beijing 100029,China)

机构地区：[1]中国检验检疫科学研究院,北京100176 [2]北京化工大学生命科学与技术学院,北京100029 [3]北京化工大学橡胶植物研究中心,北京100029

出　　处：《质谱学报》2022年第3期278-286,共9页Journal of Chinese Mass Spectrometry Society

基　　金：国家重点研发计划(2019YFF0302004);国家自然科学基金面上项目(21974129)。

摘　　要：采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱(UHPLC-Q/Orbitrap HRMS)对青胶蒲公英中的化学成分进行快速分析鉴定。将青胶蒲公英的根、叶干燥粉碎,经超声/微波辅助萃取,采用Waters ACQUITY BEH C18色谱柱(100 mm×2.1 mm×1.7μm),以0.1%甲酸水溶液和乙腈为流动相进行梯度洗脱。洗脱液经大气压化学电离源(APCI)离子化后,采用全扫描-数据依赖型二级质谱扫描模式进行数据采集。将预处理后的数据与中药数据库及在线数据库等比对分析,包括一级精确质荷比、同位素峰分布以及二级质谱图匹配,共鉴定出164种化合物,包括黄酮类、香豆素类、萜类、有机酸类、生物碱类、木质素类等,同时对部分鉴定成分的质谱裂解规律进行推导,有助于黄酮类等化合物的结构解析,为青胶蒲公英中黄酮类等成分结构类似物的快速鉴定提供了重要的实验依据。The chemical components in Taraxacum kok-saghyz Rodin(TKS)were analyzed and identified using ultra-high-performance liquid chromatography coupled with quadrupole/Orbitrap high-resolution mass spectrometry(UHPLC-Q/Orbitrap HRMS).The roots and leaves of TKS samples were dried and pulverized,and extracted by ultrasonic/microwave-assisted extraction(UMAE).A Waters ACQUITY BEH C18 column(100 mm×2.1 mm×1.7μm)was used for gradient elution with 0.1%formic acid aqueous solution and acetonitrile as mobile phases.The eluent was ionized by atmospheric pressure chemical ionization(APCI)interface followed by data acquisition under full-scan MS/data-dependent MS/MS(Full-MS)mode.The obtained data were processed and then compared with the database of Orbitrap traditional Chinese medicine library(OTCML),online database,etc.,based on the accurate mass-to-charge ratio of precursor ion,isotopic peak distribution,and the match of MS 2 spectra.A total of 164 compounds were tentatively identified including flavonoids,coumarins,terpenoids,organic acids,alkaloids,lignins,etc.Meanwhile,the mass spectrometric fragmentation pathways of some identified components were deduced,which is helpful for the structural analysis of flavonoids and other compounds and provides an important experimental basis for the rapid identification of flavonoids and other structural analogs in TKS.

关 键 词：青胶蒲公英 超声/微波辅助萃取 超高效液相色谱-四极杆/静电场轨道阱高分辨质谱(UHPLC-Q/Orbitrap HRMS) 裂解规律 

分 类 号：O657.63[理学—分析化学]