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香精油中的香气化合物:使用二维气相色谱-高分辨率飞行时间质谱联用化学计量学分析化学成分

Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography-High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics.

作者信息

Koljančić Nemanja, Vyviurska Olga, Špánik Ivan

机构信息

Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, 812 37 Bratislava, Slovakia.

出版信息

Plants (Basel). 2023 Jun 18;12(12):2362. doi: 10.3390/plants12122362.

DOI:10.3390/plants12122362
PMID:37375987
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10305201/
Abstract

Analyzing essential oils is a challenging task for chemists because their composition can vary depending on various factors. The separation potential of volatile compounds using enantioselective two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (GC×GC-HRTOF-MS) with three different stationary phases in the first dimension was evaluated to classify different types of rose essential oils. The results showed that selecting only ten specific compounds was enough for efficient sample classification instead of the initial 100 compounds. The study also investigated the separation efficiencies of three stationary phases in the first dimension: Chirasil-Dex, MEGA-DEX DET-β, and Rt-βDEXsp. Chirasil-Dex had the largest separation factor and separation space, ranging from 47.35% to 56.38%, while Rt-βDEXsp had the smallest, ranging from 23.36% to 26.21%. MEGA-DEX DET-β and Chirasil-Dex allowed group-type separation based on factors such as polarity, H-bonding ability, and polarizability, whereas group-type separation with Rt-βDEXsp was almost imperceptible. The modulation period was 6 s with Chirasil-Dex and 8 s with the other two set-ups. Overall, the study showed that analyzing essential oils using GC×GC-HRTOF-MS with a specific selection of compounds and stationary phase can be effective in classifying different oil types.

摘要

对化学家来说,分析香精油是一项具有挑战性的任务,因为其成分会因各种因素而有所不同。使用对映体选择性二维气相色谱联用高分辨率飞行时间质谱(GC×GC-HRTOF-MS),并在第一维采用三种不同固定相,对挥发性化合物的分离潜力进行了评估,以对不同类型的玫瑰香精油进行分类。结果表明,仅选择十种特定化合物就足以进行有效的样品分类,而不是最初的100种化合物。该研究还考察了第一维中三种固定相的分离效率:Chirasil-Dex、MEGA-DEX DET-β和Rt-βDEXsp。Chirasil-Dex具有最大的分离因子和分离空间,范围为47.35%至56.38%,而Rt-βDEXsp最小,范围为23.36%至26.21%。MEGA-DEX DET-β和Chirasil-Dex允许基于极性、氢键能力和极化率等因素进行基团类型分离,而Rt-βDEXsp的基团类型分离几乎难以察觉。Chirasil-Dex的调制周期为6秒,其他两种装置的调制周期为8秒。总体而言,该研究表明,使用GC×GC-HRTOF-MS并特定选择化合物和固定相来分析香精油,可有效对不同油类进行分类。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/fca9917b7aba/plants-12-02362-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/a7b2045f5339/plants-12-02362-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/2ebba6e2c277/plants-12-02362-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/05345e0a4af8/plants-12-02362-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/15da8e70c461/plants-12-02362-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/fca9917b7aba/plants-12-02362-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/a7b2045f5339/plants-12-02362-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/2ebba6e2c277/plants-12-02362-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/05345e0a4af8/plants-12-02362-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/15da8e70c461/plants-12-02362-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f891/10305201/fca9917b7aba/plants-12-02362-g005.jpg

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