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基于全二维气相色谱-四极杆飞行时间质谱高通量检测独活挥发油化学成分
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钱沉鱼,陈啸天,肖雪,周雪倩,王玉梅,向章敏 1. 华南农业大学 林学与风景园林学院广东省森林植物种质创新与利用重点实验室广东 广州 510642 2. 广东省科学院测试分析研究所广东省化学危害应急检测技术重点实验室广东 广州 510070 
基金项目:广东省科学院创新驱动发展能力建设专项-多维色谱应用技术研究(2018GDASCX0808)
中文摘要:利用全二维气相色谱-四极杆飞行时间质谱(GC × GC-QTOF MS)建立了一种适用于独活挥发油化学成分的高通量检测方法,样品经水蒸气蒸馏提取后,直接采用全二维气相色谱进行分离,并根据谱库匹配、保留指数及精确质量数进行定性确认。结果表明,共分离鉴定了独活挥发油中207种化学成分,其中正向、反向匹配因子大于800的化合物占90%以上,分子离子峰的精确质量偏差均小于3 ppm,且80%以上物质的保留指数偏差在20以内。同时,通过半定量分析发现酯类、醇类、酚类、碳氢化合物是独活挥发油中最丰富的化学成分。研究结果对于挖掘独活挥发油的物质基础和药用价值具有重要意义。
中文关键词:全二维气相色谱-四极杆飞行时间质谱  独活  挥发油  化学成分
 
Analysis of Volatile Components in Radix Angelicae Pubescentis Essential Oils by Comprehensive Two-dimensional Gas Chromatography- Quadrupole Time-of-flight Mass Spectrometry
Abstract:A comprehensive two-dimensional gas chromatography-quadrupole time-of-flight mass spectrometry(GC × GC-QTOF MS) was developed for the high-throughput analysis of volatile components in essential oils from Radix Angelicae Pubescentis(RAP).The samples were directly separated and analyzed by GC × GC method after steam distillation.Subsequently,a total of 207 compounds were tentatively identified based on mass spectral library match,retention index comparison and accurate mass confirmation.In addition,a majority of the identified compounds have forward or reverse match factors greater than 800,while the errors between the measured value(accurate mass) and the true value(exact mass) of the identified compounds were within 3 ppm. In retention index(RI) confirmation,RI errors between the experimental measured value(RIexp) and the literature value(RIlit) were within 20 for more than 80% compounds.In the meantime,a semi-quantitative analysis indicated that esters,alcohols,phenols and hydrocarbons are the dominant chemical components in essential oils of RAP,which is important for the exploitation of chemical composition and medicinal value of RAP essential oils.
Key Words:comprehensive two-dimensional gas chromatography combination with quadrupole time-of-flight mass spectrometry  Radix Angelicae Pubescentis  volatile essential oil  chemical composition
引用本文:钱沉鱼,陈啸天,肖雪,周雪倩,王玉梅,向章敏.基于全二维气相色谱-四极杆飞行时间质谱高通量检测独活挥发油化学成分[J].分析测试学报,2022,41(1):78-90.
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