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Background: Ramie (Boehmeria nivea) has been reported to have a wide variety of secondary metabolite compounds in its vegetative organ that have distinct organic activities. Regarding the chemical composition of flowers, there have been no study considering their pharmacological effects. Purpose: This research aims to determine profile metabolites contained in B. nivea flowers employing a metabolomics approach. Study Design: This research was designed to obtain a metabolite database from five dissolved fractions of ramie flower using a Gas Chromatography-Mass Spectrometry (GC–MS/MS) instrument. This study includes metabolite profiles from each fraction of the spectrum obtained, which are then investigated for potential bioactivity based on previously reported studies. Metabolite profiles were developed using Principal Component Analysis (PCA) to obtain information on clustering of the compounds and determination of marker compounds from each fraction analyzed. Methods: The active compounds of the flowers were separated utilizing the maceration method with ethanol solvent and multilevel fractionation using n-hexane, dichloromethane, ethyl acetic acid derivation, butanol, and water employing a GC–MS/MS approach. Principal Component Analysis (PCA) was optimized with a total represented data diversity range of 60 % - 65 %. This allowed for the identification of characteristic compounds and similarities in compound substances accross the fractions. Result: GC–MS/MS interpretation showed the dominant compounds contained in each fraction of n-hexane, dichloromethane, n-butanol, ethyl acetate, and water are 9,12-Octadecadienoic acid, ethanol, 2-phenoxy-, butyl ester, and hexanedioic acid, bis(2-ethylhexyl) ester. PCA clustering showed combined similarity of the compound for ethyl acetate fraction with butanol, and also butanol with n-hexane. Meanwhile, the dichloromethane and water fractions have very small content similarities. The score plot indicated marker compounds of each fraction are: ethanol, 2-butoxy; hexane, 2,2,3-trimethyl-; phthalic acid, in (2-propylpentyl) ester; n-hexadecanoic acid, and Hexanedioic acid, bis(2- ethylhexyl) ester. Conclusions: The abundance of compounds in the fractions shows potential for application as a source of new drug candidates. In addition, there are still many compounds that are unknown in structures or biological activities which could lead to further research to provide potential clues towards the bioprospecting of the plant. Abbreviations: CH2Cl2, dichloromethane; Dm1, Dimension 1; Dm2, Dimension 2; EtOAc, ethyl acetate; GC–MS/MS, Gas Chromatography–Mass Spectrometry; n-BuOH, n-butanol; PCA, Principal Component Analysis. |
