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Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics
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–H...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10305201/ https://www.ncbi.nlm.nih.gov/pubmed/37375987 http://dx.doi.org/10.3390/plants12122362 |
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author | Koljančić, Nemanja Vyviurska, Olga Špánik, Ivan |
author_facet | Koljančić, Nemanja Vyviurska, Olga Špánik, Ivan |
author_sort | Koljančić, Nemanja |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-10305201 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-103052012023-06-29 Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics Koljančić, Nemanja Vyviurska, Olga Špánik, Ivan Plants (Basel) Article 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. MDPI 2023-06-18 /pmc/articles/PMC10305201/ /pubmed/37375987 http://dx.doi.org/10.3390/plants12122362 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Koljančić, Nemanja Vyviurska, Olga Špánik, Ivan Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title | Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title_full | Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title_fullStr | Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title_full_unstemmed | Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title_short | Aroma Compounds in Essential Oils: Analyzing Chemical Composition Using Two-Dimensional Gas Chromatography–High Resolution Time-of-Flight Mass Spectrometry Combined with Chemometrics |
title_sort | aroma compounds in essential oils: analyzing chemical composition using two-dimensional gas chromatography–high resolution time-of-flight mass spectrometry combined with chemometrics |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10305201/ https://www.ncbi.nlm.nih.gov/pubmed/37375987 http://dx.doi.org/10.3390/plants12122362 |
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