title: Butia spp. (Arecaceae) LC-MS-Based Metabolomics for Species and Geographical Origin Discrimination.
abstract: The metabolic variability of fruit from Butia spp. (Arecaceae) genotypes from different geographical locations was characterized using untargeted metabolomics by liquid chromatography-mass spectrometry (LC-MS) followed by multivariate data analyses. Principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) from LC-MS data sets showed a clear distinction among Butia catarinensis, Butia odorata, Butia paraguayensis, and Butia yatay. The major metabolites that contributed to species discrimination were primary metabolites including sugars and organic acids and specialized metabolites such as tetrahydroxy-trans-stilbene and rutin. B. odorata fruit from Tapes, RS, Brazil, showed a high content of organic acids and flavonoids, whereas B. odorata fruits from Capão do Leão, RS, Brazil, showed a high sugar content. The results demonstrate that LC-ESI-qToF-MS-based metabolic profiling coupled with chemometric analysis can be used to discriminate among Butia species and between geographical origins of B. odorata and to identify primary and specialized metabolites responsible for the discrimination.
authors.affiliation: Faculdade de Agronomia Eliseu Maciel, Universidade Federal de Pelotas , Caixa Postal 354, CEP 96010-900 Pelotas, RS, Brazil.
authors.forename: Jessica Fernanda
authors.initials: JF
authors.lastname: Hoffmann
authors.affiliation: Faculdade de Agronomia Eliseu Maciel, Universidade Federal de Pelotas , Caixa Postal 354, CEP 96010-900 Pelotas, RS, Brazil.
authors.forename: Ivan Ricardo
authors.initials: IR
authors.lastname: Carvalho
authors.affiliation: Embrapa Clima Temperado , Caixa Postal 403, CEP 96001-970 Pelotas, RS, Brazil.
authors.forename: Rosa Lia
authors.initials: RL
authors.lastname: Barbieri
authors.affiliation: Faculdade de Agronomia Eliseu Maciel, Universidade Federal de Pelotas , Caixa Postal 354, CEP 96010-900 Pelotas, RS, Brazil.
authors.forename: Cesar Valmor
authors.initials: CV
authors.lastname: Rombaldi
authors.affiliation: Faculdade de Agronomia Eliseu Maciel, Universidade Federal de Pelotas , Caixa Postal 354, CEP 96010-900 Pelotas, RS, Brazil.
authors.forename: Fabio Clasen
authors.identifier: http://orcid.org/0000-0002-5773-0800
authors.initials: FC
authors.lastname: Chaves
mesh_terms: D028023:Arecaceae / Q000737:chemistry* / Q000378:metabolism*; D001938:Brazil; D002853:Chromatography, Liquid / Q000379:methods; D005638:Fruit / Q000737:chemistry / Q000378:metabolism; D013058:Mass Spectrometry / Q000379:methods; D055442:Metabolome; D055432:Metabolomics; D015999:Multivariate Analysis; D025341:Principal Component Analysis
keywords: LC-ESI-qTOF-MS; bioactive compounds; metabolic variability; metabolomics; multivariate analysis; native fruit