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Updated: Feb 3, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
Published on: May 20, 2013
Nontargeted Metabolomic Study on Variation of Phenolics in Different Cranberry Cultivars Using UPLC-IM - HRMS
Yifei Wang1, Nicholi Vorsa2, Peter de B Harrington3
1U.S. Department of Agriculture, Agricultural Research Service, Beltsville Human Nutrition Research Center , Food Composition and Methods Development Laboratory , Beltsville , Maryland 20705 , United States.
Abstract:
The metabolomic profiles of American cranberry ( Vaccinium macrocarpon) fruits and their variation among 10 diverse cultivars were investigated by ultraperformance liquid chromatography ion-mobility high-resolution mass spectrometry (UPLC-IM - HRMS). Over 80 metabolites, belonging to various phenolic compound groups, were putatively characterized. An HRMS data matrix consisting of 4778 unique ions across the 10 cultivars was built and analyzed by orthogonal projections to latent structures discriminant analysis (OPLS-DA). The 10 cultivars segregated into 4 clusters on the basis of their metabolomic similarities, which largely reflected their genetic backgrounds. Anthocyanins exhibited the most extensive variations among all the cultivars, reflecting the effects of cranberry breeding selection on fruit color. Flavonols, phenolic acid derivatives, and proanthocyanidins also varied among the different cultivars. The nontargeted metabolomic comparison using multivariate analysis proved to be efficient and robust for determining specific metabolite differences among the cultivars.
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