ArticleRapid communications in mass spectrometry : RCM2025
Revisiting In-Gas Transformations of Quinate Conjugates Through the LC-qTOF-MS and Molecular Networking Topology.
Article in Rapid communications in mass spectrometry : RCM, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
rationaleThe emergence of computational metabolomics tools such as molecular networking and machine learning-based platforms like SIRIUS has significantly advanced MS-based metabolomics studies. These tools enable rapid metabolite identification by deciphering complex fragmentation patterns and chemical transformations occurring during mass spectrometry analysis.
methodsIn this study, methanolic extracts of Viscum combreticola, a plant recently shown to contain a rich composition of cinnamic acid-quinates conjugates, were analyzed using the LC-qTOF-MS in combination with a molecular networking approach to explore the chemical complexity of quinate conjugates.
resultsFindings of this study through molecular networking topology revealed that quinic acid undergoes a series of in-gas chemical transformations, including dehydration (-H
conclusionThe MS
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