基于UPLC-Q-TOF MS鉴定复方香薷水化学成分  

Identification of Chemical Constituents of Fu Fang Xiang Zuo Shui by UPLC-Q-TOF MS

作　　者：林结玲 周熙 赵昕 遆慧慧 LIN Jie-ling;ZHOU Xi;ZHAO Xin;TI Hui-hui(College of Pharmacy,Guangdong Pharmaceutical University,Guangzhou 510006,China;Guangdong Provincial Engineering Research Center for Quality and Safety of Traditional Chinese Medicine,Guangdong Provincial Key Laboratory of Chemical Measurement and Emergency Detection Technology,Institute of Analysis,Guangdong Academy of Sciences(China National Analytical Center,Guangzhou),Guangzhou 510070,China)

机构地区：[1]广东药科大学药学院,广东广州510006 [2]广东省科学院测试分析研究所(中国广州分析测试中心),广东省化学测量与应急检测技术重点实验室,广东省中药质量安全工程技术研究中心,广东广州510070

出　　处：《分析测试学报》2024年第4期541-554,共14页Journal of Instrumental Analysis

摘　　要：采用超高效液相色谱-四极杆串联飞行时间质谱(UPLC-Q-TOF MS)技术对中药复方香薷水的化学成分进行快速分析鉴定。通过色谱峰响应程度和分离效果优化复方香薷水的前处理方法和仪器条件;采用Agi⁃lent Phe Hex(150 mm×2.1 mm,1.9µm)色谱柱进行分离,以0.1%甲酸水溶液-乙腈为流动相进行梯度洗脱,柱温35℃,流速0.3 mL/min;通过正、负两种离子模式采集复方香薷水的质谱数据,得到精确质量数和二级碎片,结合对照品、Pubchem、安捷伦中药化合物质谱数据库和文献报道等信息对其化合物进行分析鉴定。鉴定出复方香薷水的112个成分,其中黄酮类22个,苯丙素类20个、有机酸18个、萜类14个、生物碱11个、氨基酸5个以及其他类型化合物22个。该研究全面阐述了复方香薷水的化学物质基础,为其质量控制和药效物质研究提供了理论依据。The chemical composition of Fu Fang Xiang Zuo Shui was rapidly identified and classified using ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLCQ-TOF MS)technology.The pretreatment method and instrument conditions of compound Fu Fang Xiang Zuo Shui were optimized by chromatographic peak response degree and separation effect.An Agilent Phe Hex column(150 mm×2.1 mm,1.9µm)was employed with a mobile phase consisting of 0.1%formic acid aqueous solution and acetonitrile,using gradient elution at a flow rate of 0.3 mL/min and a column temperature of 35℃.The mass spectrum data of Fu Fang Xiang Zuo Shui were col⁃lected by positive and negative ion modes to obtain the accurate mass number and secondary frag⁃ments.The compounds were qualitatively identified by reference material,Pubchem,Agilent Chi⁃nese medicine compound mass spectrum database and literature.Overall,112 compounds were iden⁃tified,including 22 flavonoids,20 phenylpropanoids,18 organic acids,14 terpenoids,11 alka⁃loids,5 amino acids,and 22 other types of compounds.This study comprehensively elucidated the chemical basis of Fu Fang Xiang Zuo Shui,providing theoretical support for its quality control and pharmacodynamic substance research.

关 键 词：超高效液相色谱-四极杆串联飞行时间质谱(UPLC-Q-TOF MS) 复方香薷水 成分分析 黄酮类 

分 类 号：O657.72[理学—分析化学] TQ460.72[理学—化学]