基于UPLC-Q-TOF-MS/MS和分子网络技术的远志木心成分定性分析  

Qualitative Analysis of Components in the Xylem of Polygala tenuifolia Willd. Based on UPLC-Q TOF-MS/MS and Molecular Network Technology

作　　者：李小英 张志鹏 田洪岭 张福生 秦雪梅[1,2] 李震宇 LI Xiaoying;ZHANG Zhipeng;TIAN Hongling;ZHANG Fusheng;QIN Xuemei;LI Zhenyu(Modern Research Center for Traditional Chinese Medicine,the Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education,Shanxi University,Taiyuan 030006,China;Institute of Jinyao Standarazition and Resource Utilization,Taiyuan 030006,China;Shanxi Guoxin Jinyao Group Genuine Medicinal Materials Management Co.,Ltd.,Taiyuan 030000,China;Institute of Cash Crops,Shanxi Agricultural University,Lüliang 032200,China)

机构地区：[1]山西大学化学生物学与分子工程教育部重点实验室,中医药现代研究中心,太原030006 [2]晋药标准化与资源利用研究院,太原030006 [3]山西国新晋药集团道地药材经营有限公司,太原030000 [4]山西农业大学经济作物研究所,山西吕梁032200

出　　处：《中国药学杂志》2023年第21期1916-1921,共6页Chinese Pharmaceutical Journal

基　　金：国家中药材产业技术体系浑源综合试验站项目资助(CARS-21-03);山西科技成果转化引导专项项目资助(201804D131007,202104021301064);山西省现代农业产业技术体系建设专项资金资助(2021-11)。

摘　　要：目的本研究采用超高效液相色谱-四极杆飞行时间串联质谱(UPLC-Q-TOF-MS/MS)和分子网络技术,结合高效液相色谱(HPLC)技术对远志木心进行定性、定量分析。方法参照2020年版《中国药典》对细叶远志皂苷、远志[口山]酮Ⅲ和3,6'-二芥子酰基蔗糖的含量进行测定。根据MS/MS碎片结合SCIEX中药数据库、Lipidomics数据库、对照品、文献数据对木心中的化学成分进行鉴定;并结合MS/MS碎片的相似性创建分子网络。结果不同产地远志木心中的细叶远志皂苷、远志[口山]酮Ⅲ和3,6'-二芥子酰基蔗糖含量均不符合2020年版《中国药典》规定。在远志木心中共鉴定出化合物188个,其中包括三萜皂苷类26个、[口山]酮类12个、糖酯类69个,黄酮类12个,脂质类37个,糖类3个,核苷(酸)类3个,有机酸类8个,氨基酸类11个,其他类化合物7个。结论阐明了远志木心中的化学成分,该结果为远志木心资源的综合开发以及进一步解析远志木心“致闷”的物质基础提供依据。OBJECTIVE To qualitatively and quantitatively analyze the zylem of Polygala tenuifolia Willd.using ultra performance liquid chromatography-quadrupole-time flight mass spectrometry(UPLC-Q-TOF-MS/MS)coupled with molecular network technnology,as well as HPLC.METHODS The contents of tenuifolin,polygalaxanthoneⅢand 3,6'-disinapoyl sucrose were determined according to the Chinese pharmacopoeia(2020).The chemical components of xylem were identified according to MS/MS fragments combined with SCIEX Traditional Chinese Medicine database,Lipidomics database,reference substance and literature data.Molecular networks were created by combining the similarities of MS/MS fragments.RESULTS The content of tenuifolin,polygalaxanthoneⅢand 3,6'-disinapoyl sucrose in the xylem of Polygala tenuifolia Willd.from different regions does not meet the requirement of Chinese pharmacopoeia(2020).A total of 188 compounds were identified in the xylem,including 26 triterpene saponins,12 xanthones,69 sucrose esters,12 flavonoids,37 lipids,3 sugars,3 nucleosides(acids),8 organic acids,11 amino acids,and 7 others.CONCLUSION The chemical composition in the xylem of Polygala tenuifolia Willd.are investigated,and the RESULTS provide a basis for the resource utilization as well as further research on the“dysphoria”material basis.

关 键 词：远志木心 三萜皂苷 [口山]酮 糖酯 超高效液相色谱-四级杆飞行时间质谱 分子网络 

分 类 号：R282[医药卫生—中药学]