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

钱沉鱼; 陈啸天; 肖雪; 周雪倩; 王玉梅; 向章敏

Analysis of Volatile Components in Radix Angelicae Pubescentis Essential Oils by Comprehensive Two-dimensional Gas Chromatography－ Quadrupole Time-of-flight Mass Spectrometry

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KeyWord:comprehensive two-dimensional gas chromatography combination with quadrupole time-of-flight mass spectrometry Radix Angelicae Pubescentis volatile essential oil chemical composition

Author	Institution
QIAN Chen-yu,CHEN Xiao-tian,XIAO Xue,ZHOU Xue-qian,WANG Yu-mei,XIANG Zhang-min	1. Guangdong Key Laboratory for Innovation Development and Utilization of Forest Plant Germplasm，College of Forestry and Landscape Architecture，South China Agricultural University，Guangzhou ，China; 2. Guangdong Provincial Key Laboratory of Emergency Test for Dangerous Chemicals，Guangdong Institute of Analysis，Guangdong Academy of Sciences，Guangzhou ，China

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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.