基于UPLC-Q-TOF MS的气滞胃痛胶囊化学成分快速鉴定及裂解规律研究  

Study on Identification of Compounds and Their Fragmentation Pathways in Qizhiweitong Capsule by UPLC-Q-TOF MS

作　　者：孟营 郑莹[1,2,3] 包永睿 王帅[1,2,3] 李天娇 孟宪生[1,2,3] MENG Ying;ZHENG Ying;BAO Yong-rui;WANG Shuai;LI Tian-jiao;MENG Xian-sheng(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,China;Liaoning Multi-dimensional Analysis of Traditional Chinese Medicine Technical Innovation Center,Dalian 116600,China;Liaoning Province Modern Traditional Chinese Medicine Research and Engineering Laboratory,Dalian 116600,China)

机构地区：[1]辽宁中医药大学药学院,辽宁大连116600 [2]辽宁省中药多维分析专业技术创新中心,辽宁大连116600 [3]辽宁省现代中药研究工程实验室,辽宁大连116600

出　　处：《分析测试学报》2024年第9期1376-1388,共13页Journal of Instrumental Analysis

基　　金：辽宁省高等学校创新团队项目(LT2017015)。

摘　　要：运用超高效液相色谱-四极杆飞行时间质谱(UPLC-Q-TOF MS)技术建立了一种快速全面分析鉴定气滞胃痛胶囊化学成分的方法。采用Agilent poroshell 120 SB-C18色谱柱,以0.1%甲酸水-乙腈为流动相进行梯度洗脱,在电喷雾离子源正、负离子模式下,通过保留时间、质谱一级准分子离子峰、二级质谱裂解碎片,结合对照品及文献数据从气滞胃痛胶囊80%甲醇提取物中鉴定出97个成分,包括黄酮类41个、生物碱类19个、有机酚酸类12个、皂苷类8个、萜类5个、苯丙素类10个、核苷类1个及醌类1个,其中50个成分经过对照品比对。同时对所鉴定成分的结构类型、药材来源进行归属并探讨了各类结构的裂解规律。该研究可为气滞胃痛胶囊的质量控制和临床应用提供依据,也可为具有相似结构类型的化学成分鉴定提供参考。A rapid and comprehensive method for analyzing and identifying the chemical components of Qizhiweitong Capsule was established using ultra high performance liquid chromatography-quadru⁃pole time-of-flight mass spectrometry(UPLC-Q-TOF MS)technology.Agilent poroshell 120 SB-C18 chromatography column was used,with 0.1%formic acid water-acetonitrile as the mobile phase for gradient elution.Under positive and negative ion modes,97 components were identified from the 80%methanol extract of Qizhiweitong Capsule,including 41 flavonoids,19 alkaloids,12 organic phenolic acids,8 saponins,5 terpenes,10 phenylpropanoids,1 nucleoside and 1 quinone,by re⁃tention time,mass spectrometry first order quasi molecular ion peak,and second order mass spec⁃trometry fragmentation,combined with reference materials and literature data.Among them,50 components were compared with reference materials.At the same time,a classification of the struc⁃tural types of the identified components and the sources of medicinal materials were carried out,and various structural fragmentation patterns were explored.This study provides a basis for the quality control and clinical application of Qizhiweitong Capsule,as well as a reference for the identification of components with similar structural types.

关 键 词：气滞胃痛胶囊 化学成分 结构鉴定 裂解规律 超高效液相色谱-四极杆飞行时间质谱 

分 类 号：O657.7[理学—分析化学] R914.1[理学—化学]