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Updated: Dec 17, 2025

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Differentiating, evaluating, and classifying three quinoa ecotypes by washing, cooking and germination treatments,
Liliana Lalaleo1, Diego Hidalgo2, Miguel Valle3
1Faculty of Agricultural Sciences, Technical University of Ambato, Cevallos, Ecuador; G+ BioFood & Engineering Group, Department of Food Science and Engineering and Biotechnology, Technical University of Ambato. Av. Los Chasquis & Rio Payamino, CP 180150 Ambato, Ecuador.
Abstract:
We processed three quinoa ecotypes as they are commonly consumed in a daily diet. For the treatments, quinoa seeds were washed, cooked, and/or germinated. Following treated, we used 1H NMR-based metabolomic profiling to explore differences between the ecotypes. Then, for a non-targeted and targeted food fingerprint analysis of samples, we performed multivariable data analyses, including principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and hierarchical cluster analysis. From our study, we were able to discriminate each quinoa ecotype regardless of treatment based on its metabolomic profiling. Additionally, we were able to identify 30 metabolites that were useful to determine the effect of each treatment on nutritional composition. Germination increased the content of most metabolites irrespective of ecotype. In general, ecotype CQE_03 was different from ecotypes CQE_01 and CQE_02. Our phytochemical analysis revealed the effects of washing, cooking, and/or germination, particularly on saponins content.

