{"title":"Iridoid Glycosides as Key Discriminators of Cranberry (Vaccinium macrocarpon) Cultivars Revealed by UHPLC-HRAM-MSn Metabolomics.","authors":"Ping Geng, Jianghao Sun, Pei Chen","doi":"10.1093/jaoacint/qsag025","DOIUrl":null,"url":null,"abstract":"<p><strong>Background: </strong>Cranberry (Vaccinium macrocarpon) contains diverse hydrophilic phytochemicals, but their compositional profiles and cultivar-specific variation have not been comprehensively characterized.</p><p><strong>Objective: </strong>The objective of this study was to profile hydrophilic metabolites in cranberry cultivars and identify constituents that differentiate among cultivars.</p><p><strong>Methods: </strong>Water-eluted fractions of Sephadex® LH-20-separated cranberry extracts from six cultivars (Crimson Queen, Demoranville, Haines, Mullica Queen, Stevens, and Welker) were analyzed using ultra-HPLC-high-resolution accurate-mass tandem mass spectrometry (UHPLC-HRAM-MSn). Metabolites were annotated based on accurate mass and MS2 fragmentation data and comparison with literature reports. Sparse partial least-squares discriminant analysis (sPLS-DA) was applied to assess classification performance and identify discriminative features.</p><p><strong>Results: </strong>Thirty-nine putative hydrophilic metabolites were identified, including hydroxycinnamic acid hexose derivatives, anthocyanins, hydroxycinnamoylquinic acids, and a distinct group of iridoid glycosides. Vaccinoside and several coumaroyl-substituted monotropein derivatives were structurally characterized in cranberry for the first time. sPLS-DA identified iridoid glycosides as key discriminators, with higher abundance observed in the Welker cultivar.</p><p><strong>Conclusion: </strong>Cranberry cultivars contain previously unreported iridoid glycosides that contribute to chemotaxonomic differentiation. These results expand current knowledge of cranberry hydrophilic phytochemistry and support the relevance of iridoid glycosides as cultivar-informative metabolites.</p><p><strong>Highlights: </strong>This study characterizes the highly polar, water-eluted fraction of six cranberry cultivars using UHPLC-HRAM-MSn analysis, resulting in the putative identification of 39 compounds, including a prominent series of iridoid glycosides.</p>","PeriodicalId":94064,"journal":{"name":"Journal of AOAC International","volume":" ","pages":"542-555"},"PeriodicalIF":1.7000,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13458945/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of AOAC International","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1093/jaoacint/qsag025","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
Background: Cranberry (Vaccinium macrocarpon) contains diverse hydrophilic phytochemicals, but their compositional profiles and cultivar-specific variation have not been comprehensively characterized.
Objective: The objective of this study was to profile hydrophilic metabolites in cranberry cultivars and identify constituents that differentiate among cultivars.
Methods: Water-eluted fractions of Sephadex® LH-20-separated cranberry extracts from six cultivars (Crimson Queen, Demoranville, Haines, Mullica Queen, Stevens, and Welker) were analyzed using ultra-HPLC-high-resolution accurate-mass tandem mass spectrometry (UHPLC-HRAM-MSn). Metabolites were annotated based on accurate mass and MS2 fragmentation data and comparison with literature reports. Sparse partial least-squares discriminant analysis (sPLS-DA) was applied to assess classification performance and identify discriminative features.
Results: Thirty-nine putative hydrophilic metabolites were identified, including hydroxycinnamic acid hexose derivatives, anthocyanins, hydroxycinnamoylquinic acids, and a distinct group of iridoid glycosides. Vaccinoside and several coumaroyl-substituted monotropein derivatives were structurally characterized in cranberry for the first time. sPLS-DA identified iridoid glycosides as key discriminators, with higher abundance observed in the Welker cultivar.
Conclusion: Cranberry cultivars contain previously unreported iridoid glycosides that contribute to chemotaxonomic differentiation. These results expand current knowledge of cranberry hydrophilic phytochemistry and support the relevance of iridoid glycosides as cultivar-informative metabolites.
Highlights: This study characterizes the highly polar, water-eluted fraction of six cranberry cultivars using UHPLC-HRAM-MSn analysis, resulting in the putative identification of 39 compounds, including a prominent series of iridoid glycosides.
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