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Identification of metabolites in Withania sominfera fruits by liquid chromatography and high‐resolution mass spectrometry
Author(s) -
Bolleddula Jayaprakasam,
Fitch William,
Vareed Shaiju K.,
Nair Muraleedharan G.
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.6221
Subject(s) - chemistry , withania somnifera , chromatography , mass spectrometry , withanolide , palmitic acid , liquid chromatography–mass spectrometry , resolution (logic) , fatty acid , biochemistry , medicine , alternative medicine , pathology , artificial intelligence , computer science
RATIONALE Withania somnifera is a rich source of biologically active secondary metabolites. Our earlier investigations on the fruits of this plant have yielded novel compounds, withanamides, with potent antioxidant activity and protective effect on β‐amyloid‐induced cytotoxicity in vitro . However, several minor compounds present in the fruits have not been characterized previously which may contribute to the observed biological activities. METHODS Liquid chromatography (LC) coupled with high‐resolution mass spectrometry (HRMS) with data‐dependent and targeted MS/MS experiments were conducted to elucidate the structure of observed metabolites. RESULTS A total of 62 metabolites identified included 32 withanamides, 22 withanolides, 3 steroidal saponins, 2 lignanamides, feruloyl tyramine, methoxy feruloyl tyramine and a diglucoside of hydroxyl palmitic acid. The structures of these compounds were proposed based on accurate masses of the molecular and fragment ions. Several of these new compounds identified from the profile were derived from withanamides with variations in aliphatic and/or glycosyl moieties. In addition, six new withanolides, a new hydroxy fatty acid diglucoside and several known compounds in the extract were identified. CONCLUSIONS The current study revealed the presence of several new and known compounds in Withania somnifera fruits. High‐resolution MS and MS/MS experiments provide an extremely effective approach to derive the structures of plant secondary metabolites including isomeric compounds. Copyright © 2012 John Wiley & Sons, Ltd.