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ID‐CUBE direct analysis in real time high‐resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.
Author(s) -
Chernetsova Elena S.,
Crawford Elizabeth A.,
Shikov Alexander N.,
Pozharitskaya Olga N.,
Makarov Valery G.,
Morlock Gertrud E.
Publication year - 2012
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.6226
Subject(s) - dart ion source , chemistry , mass spectrometry , analytical chemistry (journal) , mass spectrum , ion source , sample preparation , ion , ambient ionization , analyte , resolution (logic) , chromatography , electron ionization , ionization , organic chemistry , artificial intelligence , computer science
RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high‐resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID‐CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID‐CUBE with a high‐resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia . OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID‐CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5‐μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID‐CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H] – ions. Thirty‐six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID‐CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.