{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T11:04:43Z","timestamp":1781089483728,"version":"3.54.1"},"reference-count":32,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T00:00:00Z","timestamp":1781049600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Hive Beverage"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Metabolites"],"abstract":"<jats:p>Background: The rapid expansion of functional ready-to-drink (RTD) beverages\u2014formulated with prebiotic fibers, botanical extracts, and reduced sugar\u2014has outpaced systematic characterization of their small-molecule composition. Methods: We applied dual-mode untargeted high-resolution liquid chromatography\u2013tandem mass spectrometry (LC\u2013MS\/MS), integrating hydrophilic interaction (HILIC) and reversed-phase C18 separations, to profile five commercial RTD beverages spanning distinct formulation categories: Coca-Cola\u00ae, Poppi\u00ae Orange, OLIPOP\u00ae Cream Soda, Pure Leaf\u00ae Unsweetened Black Tea, and BeePop\u2122 Peach + Orange Blossom Honey. Results: Across all products, 478 compounds were structurally annotated at Metabolomics Standards Initiative (MSI) Levels 1 and 2, of which 42 matched compounds with reported bioactivity in a curated literature-based reference database. Seventeen compounds\u2014including the NAD+ precursor trigonelline and multiple B vitamins\u2014were detected across all five products. The number and diversity of compounds with reported bioactivity varied substantially by product and correlated with botanical ingredient complexity. Conclusions: This work presents a qualitative molecular survey of the RTD beverage category using standardized, dual-mode untargeted metabolomics, providing a reference dataset for future targeted quantitation studies.<\/jats:p>","DOI":"10.3390\/metabo16060404","type":"journal-article","created":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T09:25:17Z","timestamp":1781083517000},"page":"404","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Metabolomic Signatures of Commercial Ready-to-Drink Beverages by Dual-Mode Untargeted LC\u2013MS\/MS"],"prefix":"10.3390","volume":"16","author":[{"given":"Ivana","family":"Bla\u017eenovi\u0107","sequence":"first","affiliation":[{"name":"Adikai Insights, San Mateo, CA 94403, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kara","family":"Bresnahan","sequence":"additional","affiliation":[{"name":"Kara Bresnahan Regulatory and Scientific Affairs Consulting, Madison, WI 53701, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9851-2968","authenticated-orcid":false,"given":"Shunyang","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of California Davis, Davis, CA 95616, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,6,10]]},"reference":[{"key":"ref_1","unstructured":"Grand View Research (2023). 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