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Title: | Metabolomic profile and discrimination of white quinoa seeds from Peru based on UHPLC-HRMS and multivariate analysis | Other Titles: | Perfil metabolómico y discriminación de semillas de quinua blanca del Perú basado en UHPLC-HRMS y análisis multivariante | Authors: | Cabanillas Amado, Billy Joel Espichán Jáuregui, Fabio Francisco Estrada Zúniga, Rigoberto Neyra Valdez, Edgar Rojas, Rosario |
Keywords: | Chenopodium quinoa;Metabolomic profile;UHPLC-MS;Principal component analysis | Issue Date: | 4-Aug-2021 | Publisher: | International Association for Cereal Science and Technology | Source: | Cabanillas, B., Espichán, F., Estrada, R., Neyra, E., & Rojas, R. (2021). Metabolomic profile and discrimination of white quinoa seeds from Peru based on UHPLC-HRMS and multivariate análisis. Journal of Cereal Science, 101, 103307. 10.1016/j.jcs.2021.103307 | Journal: | Journal of Cereal Science | Abstract: | In the present work, an untargeted metabolomic approach based on ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC–HRMS) was performed for the discrimination of 25 accessions of white quinoa from main production zones of Peru. From the fingerprint analysis, a total of eighty-four metabolites were tentatively identified based on their accurate mass measurements and MS/MS data. Among them, forty-six compounds are reported here for the first time in C. quinoa (eight phenolics, one ecdysteroid, and thirty-seven saponins), twenty-four of them would correspond to new structures. Principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLS-DA) were used to analyze the metabolomic data. As a result, the samples were distributed into two groups. The compounds contributing to the differences between these groups were identified by S-plot analysis. En el presente trabajo, se llevó a cabo un enfoque metabolómico no dirigido basado en la cromatografía líquida de ultra alto rendimiento acoplada a la espectrometría de masas de alta resolución (UHPLC-HRMS) para la discriminación de 25 accesiones de quinua blanca de las principales zonas de producción de Perú. A partir del análisis de la huella dactilar, se identificaron tentativamente un total de ochenta y cuatro metabolitos sobre la base de sus medidas de masa precisas y los datos de MS/MS. Entre ellos, cuarenta y seis compuestos se reportan aquí por primera vez en C. quinoa (ocho fenólicos, un ecdisteroide y treinta y siete saponinas), veinticuatro de los cuales corresponderían a nuevas estructuras. Para analizar los datos metabolómicos se utilizó el análisis de componentes principales (PCA) y el análisis discriminante parcial ortogonal (OPLS-DA). Como resultado, las muestras se distribuyeron en dos grupos. Los compuestos que contribuían a las diferencias entre estos grupos se identificaron mediante el análisis S-plot. |
Description: | 5 páginas |
URI: | https://hdl.handle.net/20.500.12955/1534 | ISSN: | 1095-9963 | DOI: | https://doi.org/10.1016/j.jcs.2021.103307 | Rights: | info:eu-repo/semantics/closedAccess |
Appears in Collections: | Artículos científicos |
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