摘要
本研究采用HPLC/LTQ-Orbitrap MSn方法获取藏白蒿提取物的全扫描质谱数据,结合质量亏损过滤(MDF)数据挖掘技术,确定藏白蒿中绿原酸类似物(CGAs)的MDF模板分子和过滤窗口,以挖掘高分辨数据所蕴含的成分信息。结果表明:根据CGAs质谱裂解规律及诊断离子,从藏白蒿中鉴定出20个CGAs。其中,单酯类CGAs类似物9个,包括3-CQA、5-CQA、1-CQA和4-CQA,1-pCoQA和5-pCoQA,1-FQA、5-FQA和4-FQA;双酯类CGAs类似物11个,包括1-CQA-glycoside和5-CQA-glycoside,3,4-DiCQA、4,5-DiCQA和3,5-DiCQA,CFQA-1、CFQA-2、CFQA-3、CFQA-4、CFQA-5和CFQA-6。该方法可快速、灵敏地检测中药复杂体系中的CGAs,且可推广应用于中药化学成分类似物的快速鉴定。
The method of HPLC/LTQ-Orbitrap MSn was established to achieve the fullscan spectrum of Artemisia younghusbandii extract.Coupling with mass defect filtering（MDF）data mining technique,the template molecules and the filtering windows of chlorogenic acids analogues（CGAs）were determined,which contained rapidly mine the information.The result shows that twenty kinds of CGAs are identified fromArtemisiayounghusbandii by analyzing the fragmentation pathways and diagnostic product ions of CGAs.Among them,nine kinds of components are monoester CGAs,such as 3-CQA,5-CQA,1-CQA,4-CQA,1-pCoQA,5-pCoQA,1-FQA,5-FQA and 4-FQA;eleven kinds of components are diester CGAs,such as 1-CQA glycoside,5-CQA glycoside,3,4-DiCQA,4,5-DiCQA,3,5-DiCQA, CFQA-1, CFQA-2, CFQA-3, CFQA-4,CFQA-5and CFQA-6.The method can be adopted to identify the CGAs contained in the complex system of traditional Chinese medicines（TCMs）.Moreover,it can be further applied to identify the analogues of the chemical constituents from TCMs.
出处
《质谱学报》
EI
CAS
CSCD
北大核心
2015年第4期321-327,共7页
Journal of Chinese Mass Spectrometry Society
关键词
质量亏损过滤
藏白蒿
绿原酸类似物
表征
mass defect filtering
Artemisia younghusbandii
chlorogenic acids analogues
characterization
