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Updated: Jan 5, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Geographical discrimination of Chinese winter wheat using volatile compound analysis by HS-SPME/GC-MS coupled with
Syed Abdul Wadood1, Guo Boli1, Zhang Xiaowen1
1Institute of Food Science and Technology, Key Laboratory of Agro-Products Processing, CAAS, Ministry of Agriculture and Rural, Beijing, China.
Abstract:
This study aimed to develop a potential analytical method to discriminate the Chinese winter wheat according to geographical origin and cultivars. A total of 90 wheat samples of 10 different wheat cultivars among three regions were examined by headspace solid phase microextraction coupled with gas chromatography-mass spectrometry (GC-MS). The peak areas of 32 main volatile compounds were selected and subjected to statistical analysis, which revealed significant differences among different regions and cultivars. Multivariate analysis of variance showed a significant influence of regions, wheat genotypes, and their interaction on the volatile composition of wheat. Principal component analysis of the aromatic profile showed better visualization for wheat geographical origins. Finally, a classification model based on the linear discriminant analysis was successfully constructed for the discrimination of regions and cultivars with the correct classification percentages of 90 and 100%, respectively.
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