基于超高效液相色谱-四极杆-飞行时间串联质谱联用技术的荆莲核消方化学成分分析

Chemical Composition Analysis of Jinglian Hexiao Formula Based on Ultra-High Liquid Chromatography Tandem Quadrupole-Time-of-Flight Mass Spectrometry

基于超高效液相色谱-四极杆-飞行时间质谱联用技术(UPLC-Q-TOF-MSE),结合UNIFI软件对荆莲核消方(JLHXF)进行化学成分解析。使用Supelco Ascentis?Express C18色谱柱(3.0 mm×50 mm,2.7μm)在乙腈(A)-0.1%甲酸水溶液(B)的流动相体系下进行梯度洗脱;利用电喷雾离子源(ESI)在正、负离子模式下进行扫描,借助UNIFI软件及相关文献对成分进行分析鉴定。通过UPLC-Q-TOF-MSE技术在正、负离子模式下采集复方的质谱数据,通过化合物的精确相对分子质量和串联质谱数据采用UNIFI软件辅助解析,结合对照品质谱信息及相关文献,共鉴定和推断出187个化学成分,其中黄酮类化合物77个、有机酸类化合物41个、萜类化合物26个、苯丙素类化合物24个、苯酞类化合物12个以及其他类化合物7个。UPLC-Q-TOF-MSE技术可快速鉴定出荆莲核消方中的化学成分,准确性较高,为该方药效物质基础研究提供了可靠依据。

Chemical composition analysis of Jinglian Hexiao Formula was conducted using ultra-performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MSE)combined with UNIFI software.The Supelco Ascentis®Express C18 column(3.0 mm×50 mm,2.7μm)was used for gradient elution with a mobile phase system of acetonitrile(A)-0.1%formic acid aqueous solution(B).The electrospray ion source(ESI)was used to scan in the positive and negative ion mode,and UNIFI software and related literature were used to analyze and identify the components.The accurate relative molecular mass and tandem mass spectrometry data of the compounds were analyzed with the assistance of UNIFI software,and in combination with the mass spectrometry information of reference standards and relevant literature.A total of 187 chemical components were identified,including 77 flavonoids,41 organic acids,26 terpenoids,24 phenylpropanoids,12 phthalides and 7 other compounds.UPLC-Q-TOF-MSE technology can rapidly identify the chemical components in Jinglian Hexiao Formula with high accuracy,providing a reliable basis for the study of pharmacological substance.