title: Metabolite Profiling in Withania somnifera Roots Hydroalcoholic Extract Using LC/MS, GC/MS and NMR Spectroscopy.
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 geographical variation. Advanced separation technology with online identification by mass and nuclear magnetic resonance (NMR) are nowadays 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 spectroscopy. 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 at m/z 473 (tR7.86 min) and ixocarpalactone A at m/z 505 (tR8.43 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.
authors.affiliation: Trivedi Global, Inc., Henderson, NV, 89052, USA.
authors.forename: Mahendra Kumar
authors.initials: MK
authors.lastname: Trivedi
authors.affiliation: Trivedi Science Research Laboratory Pvt. Ltd., Bhopal, Madhya Pradesh, 462026, India.
authors.forename: Parthasarathi
authors.initials: P
authors.lastname: Panda
authors.affiliation: Trivedi Science Research Laboratory Pvt. Ltd., Bhopal, Madhya Pradesh, 462026, India.
authors.forename: Kalyan Kumar
authors.initials: KK
authors.lastname: Sethi
authors.affiliation: Trivedi Science Research Laboratory Pvt. Ltd., Bhopal, Madhya Pradesh, 462026, India.
authors.forename: Snehasis
authors.initials: S
authors.lastname: Jana
mesh_terms: D002851:Chromatography, High Pressure Liquid; D004875:Ergosterol / Q000031:analogs & derivatives* / Q000737:chemistry / Q000302:isolation & purification; D008401:Gas Chromatography-Mass Spectrometry; D009682:Magnetic Resonance Spectroscopy; D010936:Plant Extracts / Q000737:chemistry*; D018517:Plant Roots / Q000737:chemistry / Q000378:metabolism; D021241:Spectrometry, Mass, Electrospray Ionization; D032341:Withania / Q000737:chemistry / Q000378:metabolism*; D054358:Withanolides / Q000737:chemistry* / Q000302:isolation & purification
chemical_list: D010936:Plant Extracts; D054358:Withanolides; C516621:ixocarpalactone A; C010376:withanolide D; D004875:Ergosterol
keywords: 
  Withania somnifera
  ; Ashwagandha root extract; Retention time; Withanolides