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Updated: Jun 6, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Geographical origin of durum wheat studied by 1H-NMR profiling
Raffaele Lamanna1, Luigi Cattivelli, Maria Lucia Miglietta
1ENEA Research Center of Trisaia, SS 106 Jonica Km 419.5, 75026 Rotondella (Mt), Italy. raffaele.lamanna@enea.it
Abstract:
(1)H-Nuclear magnetic resonance (NMR) spectroscopy was used to detect metabolic profiles of wheat flour samples of different geographical and botanical origin. The NMR profiles were analyzed by multivariate statistical techniques in order to establish the origin of the samples. A linear model, able to discriminate among three different locations, was built achieving a prediction level of about 80% of correctly assigned samples. The principal classes of compounds responsible for the geographic origin discrimination were individuated in aromatic compounds and amino acids. The statistical modeling also indicated that botanical origin information is very poor in the NMR profiles of the analyzed wheat samples.
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