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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...

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Autores principales: Koljančić, Nemanja, Vyviurska, Olga, Špánik, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
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.
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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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