Investigation of isomeric flavanol structures in black tea thearubigins using ultraperformance liquid chromatography coupled to hybrid quadrupole/ion mobility/time of flight mass spectrometry

Ultra performance liquid chromatography (UPLC) when coupled to ion mobility (IMS)/orthogonal acceleration time of flight mass spectrometry is a suitable technique for analyzing complex mixtures such as the black tea thearubigins. With the aid of this advanced instrumental analysis, we were able to s...

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Published inJournal of mass spectrometry. Vol. 49; no. 11; pp. 1086 - 1095
Main Authors Yassin, Ghada H., Grun, Christian, Koek, Jean H., Assaf, Khaleel I., Kuhnert, Nikolai
Format Journal Article
LanguageEnglish
Published England Blackwell Publishing Ltd 01.11.2014
Wiley Subscription Services, Inc
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Summary:Ultra performance liquid chromatography (UPLC) when coupled to ion mobility (IMS)/orthogonal acceleration time of flight mass spectrometry is a suitable technique for analyzing complex mixtures such as the black tea thearubigins. With the aid of this advanced instrumental analysis, we were able to separate and identify different isomeric components in the complex mixture which could previously not be differentiated by a conventional high performance liquid chromatography/tandem mass spectrometry. In this study, the difference between isomeric structures theasinensins, proanthocyanidins B‐type and rutin (quercetin‐3O‐rutinoside) were studied, and these are present abundantly in many botanical sources. The differentiation between these structures was accomplished according to their acquired mobility drift times differing from the traditional investigations in mass spectrometry, where calculation of theoretical collisional cross sections allowed assignment of the individual isomeric structures. The present work demonstrates UPLC–IMS‐MS as an efficient technology for isolating and separating isobaric and isomeric structures existing in complex mixtures discriminating between them according to their characteristic fragment ions and mobility drift times. Therefore, a rational assignment of isomeric structures in many phenolic secondary metabolites based on the ion mobility data might be useful in mass spectrometry‐based structure analysis in the future. Copyright © 2014 John Wiley & Sons, Ltd.
Bibliography:Supporting info itemSupporting info item
ark:/67375/WNG-3MH82PMN-9
ArticleID:JMS3406
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content type line 23
ISSN:1076-5174
1096-9888
DOI:10.1002/jms.3406