基于HPLC-Q-TOF MS的网络化技术对宁夏枸杞根皮的化学成分研究  

Analysis of Chemical Constituents in the Root Bark of Lycium barbarum L.by HPLC-Q-TOF MS Combined with Networking

作　　者：何春娴 陈靖枝 杨静玲 李舂龙[2,3] 马晓莉 南泽东 江志波 HE Chun-xian;CHEN Jing-zhi;YANG Jing-ling;LI Chong-long;MA Xiao-li;NAN Ze-dong;JIANG Zhi-bo(School of Chemistry,Fuzhou University,Fuzhou 350108,China;Key Laboratory of Chemical Engineering and Technology of State Ethnic Affairs Commission,School of Chemistry and Chemical Engineering,North Minzu University,Yinchuan 750021,China;Ningxia Low-grade Resource High Value Utilization and Environmental Chemical Integration Technology Innovation Team Project,Yinchuan 750021,China)

机构地区：[1]福州大学化学学院,福建福州350108 [2]北方民族大学化学与化学工程学院,化工技术基础国家民委重点实验室,宁夏银川750021 [3]宁夏低品质资源高值化利用技术研发人才小高地,宁夏银川750021

出　　处：《质谱学报》2022年第6期792-803,I0006,共13页Journal of Chinese Mass Spectrometry Society

基　　金：福建省自然科学基金项目(2020J05099);宁夏自然科学基金项目(2020AAC03246);2021年北方民族大学服务宁夏九大重点产业项目(FWNX45)。

摘　　要：建立了高效液相色谱-四极杆-飞行时间质谱(HPLC-Q-TOF MS)法分析宁夏枸杞根皮的主要化学成分。采用Agilent ZORBAX Extend C18柱(250 mm×4.6 mm×5μm),以水(含10 mmol/L醋酸铵)-乙腈为流动相进行等度洗脱,流速1.0 mL/min,柱温30℃,进样量5μL;电喷雾离子源正、负离子模式检测,质量扫描范围m/z 100~300和300~2000。利用数据转换软件将原始数据转换成mzXML格式,在GNPS上建立分子网络,并运用Cytoscape软件对结果进行可视化解读,结合文献数据推测化合物结构。通过手动检索发现了宁夏枸杞根皮中的21个化合物,与已报道的枸杞根皮中化合物一致。通过分子网络化聚类分析发现11个化合物,为地骨皮中首次报道,其中化合物24和25为新发现的环九肽类化合物。该方法可快速分析宁夏枸杞根皮的化学成分,为其质量控制奠定基础。In the past decades,systematic isolation and structural identification of chemical components from plant material,especially traditional Chinese medicine,have provided a large number of chemical drugs and lead structures for clinic.However,there are still a large number of trace components in traditional Chinese medicine with novel chemical structures and specific pharmacological activities,which need to be further analyzed.With the development of modern analytical technology,the network technology based on tandem mass spectrometry and cluster analysis shows many advantages in trace analysis of complex components.In this paper,a method of high-performance liquid chromatography quadrupole time-of-flight mass spectrometry(HPLC-Q-TOF MS)was developed for the analysis of the main chemical constituents in the root bark of Lycium barbarum L.The aqueous extract sample was separated by methanol aqueous through C18-solid phase extraction,and then the 50%methanol aqueous elution was analyzed using HPLC-Q-TOF MS with C18 column.The ions were monitored in both positive mode and negative mode of ESI with the scanning ranges of m/z 100-300 and 300-2000.The trace chemical components were analyzed by molecular network technology.The MS data files were converted to the mzXML format and the molecular network was generated on GNPS,then visualized with Cytoscape,and the structures of compounds were predicted based on literature data.Twenty one known compounds in Cortex Lycii were verified by manual analysis technique and eleven new components were firstly identified by molecular networking.It is worth reporting that compound 24 and 25 are different from cyclooctapeptides previously found in the root bark of Lycium chinense(another source of Cortex Lycii),indicating that they can be used as markers for the identification of two species of Cortex Lycii.This work lays a research foundation for promoting the effective application of Lycium barbarum L.root bark.

关 键 词：高效液相色谱-四极杆-飞行时间质谱(HPLC-Q-TOF MS) 宁夏枸杞根皮 分子网络化 

分 类 号：O657.63[理学—分析化学]