Metabolite Profiling of Withania somnifera Roots Hydroalcoholic Extract Using LC-MS, GC-MS and NMR Spectroscopy

Journal: Chemistry & Biodiversity Accepted Oct 15, 2016

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Journal:

Chemistry & Biodiversity
Accepted Oct 15, 2016

Citation:

Trivedi, M. K., Panda, P., Sethi, K. K. and Jana, S. (2016), Metabolite Profiling of Withania somnifera Roots Hydroalcoholic Extract Using LC-MS, GC-MS and NMR Spectroscopy. Chem Biodiversity. Accepted Author Manuscript. doi:10.1002/cbdv.201600280

Title:

Metabolite Profiling of Withania somnifera Roots Hydroalcoholic Extract Using LC-MS, GC-MS and NMR Spectroscopy

Manuscript Link:

http://onlinelibrary.wiley.com/doi/10.1002/cbdv.201600280/abstract

 

Abstract

Ashwagandha (Withania somnifera) is a very well-known herbal medicine and it was well studied for its active metabolites throughout the World. Although, nearly 40 withanolides were isolated from W. somnifera root extract, still there is remaining unidentified metabolites due to very low abundance and natural variation. Advanced separation technology with online identification by mass and nuclear magnetic resonance (NMR) are now-a-days used to find out the new compounds in the crude herbal extract. This article described the metabolite profiling of ashwagandha root hydroalcoholic extract using ultra-performance liquid chromatography coupled with a positive ion electrospray ionization tandem mass spectrometry through gas chromatography mass spectrometry (GC-MS) and NMR analysis. A total of 43 possible withanolides was identified and proposed their structures based on the mass of molecular and fragment ions. GC-MS and NMR analysis indicated the presence of several known withanolides including withaferin A, withanolide D, withanoside IV or VI, withanolide sulfoxide, etc. To the best of our knowledge, dihydrowithanolide D atm/z 473 (Rt of 7.86 min) and ixocarpalactone A at m/z 505 (Rt of 8.43 min) were first time identified in the ashwagandha root hydroalcoholic extract. The current study that described the identification of withanolides with summarized literature review might be helpful for designing the experiment to identify of the new chemical constituents in Withania species.

Keywords: A