Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)

The detection of trace aroma compounds in samples with complex matrices such as Chinese liquor (Baijiu) requires a combination of several methods, which makes the analysis process very complicated. Therefore, a headspace solid-phase microextraction (HS-SPME) method coupled with two-dimensional gas c...

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Autores principales:	Xiaoqing Mu, Jun Lu, Mengxin Gao, Changwen Li, Shuang Chen
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	GC×GC-TOFMS trace aroma compounds quantitative analysis Chinese liquor (Baijiu) Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/d251fe212ae04164923a35d35399a1c5
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spelling	oai:doaj.org-article:d251fe212ae04164923a35d35399a1c52021-11-25T18:28:23ZOptimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)10.3390/molecules262269101420-3049https://doaj.org/article/d251fe212ae04164923a35d35399a1c52021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6910https://doaj.org/toc/1420-3049The detection of trace aroma compounds in samples with complex matrices such as Chinese liquor (Baijiu) requires a combination of several methods, which makes the analysis process very complicated. Therefore, a headspace solid-phase microextraction (HS-SPME) method coupled with two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) was developed for the quantitation of a large number of trace compounds in Baijiu. Optimization of extraction conditions via a series of experiments revealed that dilution of the alcohol content of 8 mL of Baijiu to 5%, followed by the addition of 3.0 g of NaCl and subsequent SPME extraction with DVB/CAR/PDMS fiber coating over 45 min at 45 °C was the most suitable. To check the matrix effects, various model Baijiu matrices were investigated in detail. The quantitative method was established through an optimized model synthetic solution, which can identify 119 aroma compounds (esters, alcohols, fatty acids, aldehydes and ketones, furans, pyrazines, sulfur compounds, phenols, terpenes, and lactones) in the Baijiu sample. The developed procedure provided high recovery (86.79–117.94%), good repeatability (relative standard deviation < 9.93%), high linearity (<i>R</i><sup>2</sup> > 0.99), and lower detection limits than reported methods. The method was successfully applied to study the composition of volatile compounds in different types of Baijiu. This research indicated that the optimized HS-SPME–GC×GC-TOFMS method was a valid and accurate procedure for the simultaneous determination of different types of trace compounds in Baijiu. This developed method will allow an improved analysis of other samples with complex matrices.Xiaoqing MuJun LuMengxin GaoChangwen LiShuang ChenMDPI AGarticleGC×GC-TOFMStrace aroma compoundsquantitative analysisChinese liquor (Baijiu)Organic chemistryQD241-441ENMolecules, Vol 26, Iss 6910, p 6910 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	GC×GC-TOFMS trace aroma compounds quantitative analysis Chinese liquor (Baijiu) Organic chemistry QD241-441
spellingShingle	GC×GC-TOFMS trace aroma compounds quantitative analysis Chinese liquor (Baijiu) Organic chemistry QD241-441 Xiaoqing Mu Jun Lu Mengxin Gao Changwen Li Shuang Chen Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
description	The detection of trace aroma compounds in samples with complex matrices such as Chinese liquor (Baijiu) requires a combination of several methods, which makes the analysis process very complicated. Therefore, a headspace solid-phase microextraction (HS-SPME) method coupled with two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) was developed for the quantitation of a large number of trace compounds in Baijiu. Optimization of extraction conditions via a series of experiments revealed that dilution of the alcohol content of 8 mL of Baijiu to 5%, followed by the addition of 3.0 g of NaCl and subsequent SPME extraction with DVB/CAR/PDMS fiber coating over 45 min at 45 °C was the most suitable. To check the matrix effects, various model Baijiu matrices were investigated in detail. The quantitative method was established through an optimized model synthetic solution, which can identify 119 aroma compounds (esters, alcohols, fatty acids, aldehydes and ketones, furans, pyrazines, sulfur compounds, phenols, terpenes, and lactones) in the Baijiu sample. The developed procedure provided high recovery (86.79–117.94%), good repeatability (relative standard deviation < 9.93%), high linearity (<i>R</i><sup>2</sup> > 0.99), and lower detection limits than reported methods. The method was successfully applied to study the composition of volatile compounds in different types of Baijiu. This research indicated that the optimized HS-SPME–GC×GC-TOFMS method was a valid and accurate procedure for the simultaneous determination of different types of trace compounds in Baijiu. This developed method will allow an improved analysis of other samples with complex matrices.
format	article
author	Xiaoqing Mu Jun Lu Mengxin Gao Changwen Li Shuang Chen
author_facet	Xiaoqing Mu Jun Lu Mengxin Gao Changwen Li Shuang Chen
author_sort	Xiaoqing Mu
title	Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
title_short	Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
title_full	Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
title_fullStr	Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
title_full_unstemmed	Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)
title_sort	optimization and validation of a headspace solid-phase microextraction with comprehensive two-dimensional gas chromatography time-of-flight mass spectrometric detection for quantification of trace aroma compounds in chinese liquor (baijiu)
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/d251fe212ae04164923a35d35399a1c5
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Optimization and Validation of a Headspace Solid-Phase Microextraction with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometric Detection for Quantification of Trace Aroma Compounds in Chinese Liquor (Baijiu)

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