Vallverdú-Queralt Anna, Meudec Emmanuelle, Eder Matthias, Lamuela-Raventos Rosa M, Sommerer Nicolas, Cheynier Véronique
SPO, INRA, Montpellier Supagro, Université de Montpellier, 2, place Viala, 34060 Montpellier, France.
SPO, INRA, Montpellier Supagro, Université de Montpellier, 2, place Viala, 34060 Montpellier, France.
Food Chem. 2017 Jul 15;227:255-263. doi: 10.1016/j.foodchem.2017.01.106. Epub 2017 Jan 22.
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 4h incubation was reduced with petroleomics-inspired strategies using Van Krevelen diagrams and modified Kendrick mass defect filtering targeting ethyl-epicatechin (CHO) 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.
超高效液相色谱-线性离子阱-轨道阱高分辨率质谱（HRMS）被用于研究复杂的聚合多酚，即在亲核试剂（间苯三酚）存在下酸催化解聚前后的情况。选择（-）-表儿茶素与乙醛在模型溶液中形成的反应产物进行概念验证实验。使用范克雷维伦图和针对乙基表儿茶素（CHO）单元的改进肯德里克质量缺陷过滤，采用受石油组学启发的策略，降低了孵育4小时后获得的超高效液相色谱-高分辨率质谱数据集的复杂性。将这些方法与质谱碎裂和间苯三酚解聚相结合，使我们能够描述表儿茶素与乙醛的反应。发现了65种以上的化合物，包括均相桥联衍生物（直至十一聚体）、乙烯基和乙醇加合物，以及首次鉴定的呫吨和呫吨鎓盐衍生物。
