期刊
FOOD CHEMISTRY
卷 227, 期 -, 页码 255-263出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.foodchem.2017.01.106
关键词
Petroleomics-inspired strategy; Van Krevelen diagrams; Kendrick mass defect plots; Epicatechin; Orbitrap-HRMS
资金
- Alfonso Martin Escudero Foundation
- Instituto de Salud Carlos III
- ISCIII (CIBEROBN)
- GIS IBiSA (Infrastructures en Biologie Sante et Agronomie)
- Region Languedoc Roussillon
- INRA CNOC
UHPLC-LTQ-Orbitrap-high resolution mass spectrometry (HRMS) was applied to investigate complex polymeric polyphenols, before and after acid-catalysed depolymerisation in the presence of a nucleophile (phloroglucinol). Reaction products of (-)-epicatechin with acetaldehyde formed in model solution were selected for a proof-of concept experiment. The complexity of the UHPLC-HRMS dataset obtained after 4 h incubation was reduced with petroleomics-inspired strategies using Van Krevelen diagrams and modified Kendrick mass defect filtering targeting ethyl-epicatechin (C77H1606) units. Combining these approaches with mass fragmentation and phloroglucinolysis allowed us to describe reaction of epicatechin and acetaldehyde. More than 65 compounds were found, including the homogeneous bridged derivatives (up to the undecamer), vinyl and ethanol adducts, and xanthene and xanthylium salt derivatives which were identified for the first time. (C) 2017 Elsevier Ltd. All rights reserved.
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