基于UPLC-Q-TOF-MS/MS技术分析香连丸的化学成分与小鼠体内的入血成分及代谢产物  

Analysis of the Chemical Constitutes of Xianglian Pill and Its Blood Components and Metabolites in Mice Based on UPLC-Q-TOF-MS/MS Technology

作　　者：马嘉仪 杨琰 张竞研 康安[2] 葛飞 张琴 MA Jiayi;YANG Yan;ZHANG Jingyan;KANG An;GE Fei;ZHANG Qin(Hai'an Hospital of Traditional Chinese Medicine Affiliated to Nanjing University of Chinese Medicine Hanlin College,Nantong 226600,China;School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China)

机构地区：[1]南京中医药大学翰林学院附属海安市中医院,江苏南通226600 [2]南京中医药大学药学院,江苏南京210023

出　　处：《南京中医药大学学报》2024年第5期510-520,共11页Journal of Nanjing University of Traditional Chinese Medicine

基　　金：江苏省卫健委科研课题面上项目(M2022024);南通市卫生健康委员会科研课题(MS2022102)。

摘　　要：目的采用UPLC-Q-TOF-MS/MS技术研究香连丸的体内外物质基础,对香连丸的主要成分、入血的原型成分及代谢产物进行定性分析。方法采用Thermo Accucore C_(18)柱(2.1 mm×100 mm,2.6μm),0.1%甲酸水(A)-乙腈(B)为流动相进行梯度洗脱,柱温40℃,流速为0.4 mL·min^(-1),进样量为4μL。采用电喷雾(ESI)离子源,正、负离子扫描模式下采集质谱信息。结果通过分析各成分的精确相对分子质量、保留时间、二级碎片等质谱信息,并与对照品的质谱信息和相关文献信息进行比对,最终在香连丸提取液中共鉴定出75个化学成分,主要为生物碱类、倍半萜类、黄酮苷类、柠檬苦素类和有机酸类等成分。此外,在给药后的小鼠血浆中共鉴定出16个原型成分和15个代谢产物。血浆中发现的原型成分以生物碱为主,这些成分在体内的代谢途径主要有羟基化、去甲基化、还原、水解、氢化和葡萄糖醛酸化等。结论该方法可用于快速且全面地鉴定香连丸的体内外化学成分,其分析结果为进一步阐明香连丸的药效物质基础提供依据。OBJECTIVE To study material basis of Xianglian Pill(XLP)in vivo and in vitro using UPLC-Q-TOF-MS/MS technique,and to qualitatively analyze the main components of Xianglian Pill as well as the prototypical components and metabolites that were absorbed into the blood.METHODS A Thermo Accucore C_(18) column(2.1 mm×100 mm,2.6μm)was used with 0.1%formic acid in water(A)-acetonitrile(B)as the mobile phase in a gradient elution mode,the column temperature was 40℃,and the flow rate was 0.4 mL·min^(-1) with the injection volume of 4μL.The mass spectrometry information was collected by using the electrospray ionization(ESI)ion source in the positive-negative ion scan mode.RESULTS By analyzing the precise relative molecular mass,retention times,secondary fragments and other mass spectrometry information of the components,and comparing them with the mass spectrometry information of the corresponding control products and relevant literature information,a total of 75 chemical components were finally identified in the extract of Xianglian Pill,including alkaloids,sesquiterpenoids,flavonoids,limonins and organic acids.In addition,16 prototypical components and 15 metabolites were identified in the plasma of the mice after the administration of the drug.Most of the prototypical components found in the plasma were alkaloids,and the metabolic pathways of these components in vivo were mainly hydroxylation,demethylation,reduction,hydrolysis,hydrogenation and glucuronidation.CONCLUSION The method can be used for the rapid identification of the external and internal components of Xianglian Pill,and its analytical results lay the foundation for further basic research on the pharmacological substances.

关 键 词：香连丸 UPLC-Q-TOF-MS/MS 原型成分 代谢产物 生物碱类 倍半萜 

分 类 号：R284[医药卫生—中药学]