基于UHPLC-Q-Exactive orbitrap MS结合PRM技术快速鉴定棉秆的化学成分  

Rapid identification of chemical constituents of cotton stalk based on UHPLC-Q-Exactive orbitrap MS with parallel reaction monitoring

作　　者：李卿 张敏 喻楷权 李嘉鑫 蔡伟 刘良红 Li Qing;Zhang Min;Yu Kaiquan;Li Jiaxin;Cai Wei;Liu Lianghong(School of Pharmaceutical Sciences,Hunan University of Medicine,Huaihua,Hunan 418000,China)

机构地区：[1]湖南医药学院药学院,湖南怀化418000

出　　处：《棉花学报》2024年第5期361-372,共12页Cotton Science

摘　　要：【目的】系统研究棉秆的化学成分,为其深入开发利用奠定基础。【方法】采用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱(ultra-high-performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry,UHPLC-Q-Exactive orbitrap MS),色谱柱为Thermo Scientific Hypersil GOLD^(TM)aQ(100 mm×2.1 mm,1.9μm),流动相为0.1%甲酸水溶液(A)-乙腈(B),流速为0.3 m L·min^(-1),柱温为40℃,进样量为2μL;质谱采用电喷雾离子源,在正、负离子模式下采用一级母离子全扫描和数据依赖性前三强二级子离子扫描并结合平行反应监测(parallel reaction monitoring,PRM)模式采集数据。【结果】在棉秆中共鉴定了102种化合物,包括有机酸类化合物48种、黄酮及其苷类化合物13种、萜类化合物10种、核苷酸类化合物8种、氨基酸类化合物8种、香豆素类化合物3种、生物碱类化合物2种、其他化合物10种。其中,92种为首次在棉秆中发现。【结论】建立的UHPLC-Q-Exactive orbitrap MS结合PRM方法操作简便,灵敏度高,分析速度快,鉴定了棉秆中102种化合物,首次鉴定了92种,为棉秆的深入开发利用奠定基础。[Objective]This study aims to systematically identify the chemical constituents of cotton stalk,laying the basis for in-depth exploitation and utilization of cotton stalk.[Methods]The ultra-high-performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry(UHPLC-Q-Exactive orbitrap MS)was performed with a Thermo Scientific Hypersil GOLD^(TM)aQ(100 mm×2.1 mm,1.9μm)chromatographic column using gradient elution consist of 0.1%formic acid(A)-acetonitrile(B)as the mobile phase at a flow rate of 0.3 mL·min-1,while the column temperature was set at 40℃,and the injection volume was 2μL.The MS used electrospray ionization(ESI)source to gain the high-resolution mass data in positive or negative models by full MS scan with data dependence MS2(full MS/dd-MS2)involved in parallel reaction monitoring(PRM).[Results]A total of 102 components from cotton stalk were identified,including 13 flavonoids,48 organic acids,8 nucleotides,10 terpenoids,8 amino acids,3 coumarins,2 alkaloids,and 10 other compounds.Among them,92 were found in cotton stalk for the first time.[Conclusion]The method based on UHPLC-Q-Exactive orbitrap MS combined with PRM was established,which is easy to operation,with high sensitivity,good specificity and rapid analysis.By this method,102 compounds were identified in cotton stalks,and 92 compounds were identified for the first time,laying the foundation for the further development and utilization of cotton stalk.It provides reference for the in-depth exploitation and utilization of cotton stalk.

关 键 词：棉秆 成分 平行反应监测 有机酸类 

分 类 号：S38[农业科学—农艺学]