Metabolomic Profiling of Gancao Phytoconstituents CSV JSON

Metabolomics Study

Metabolomic Profiling of Gancao Phytoconstituents

Results

Sample Compound measured Value Measurement Study sequence Additional information N replicates

PCA Plot

Instructions:
Select the number of dimensions to view in the PCA plot. Each dimension corresponds with a principal component selected.

Data points represent the following samples (click to show/hide):




      Click any dot in the plot to get more information about that particular data point in the table below the plot.
      In the 3-D plot, you can double click anywhere in the space to focus the camera on that particular point and scroll to zoom in and out

      Principal component analysis (PCA) scores plot

      Squares represent samples linked to pharmacology and/or chemical characterization experiments.

      Experimental Conditions

      Ultra-performance liquid chromatography and quadrupole time-of-flight mass spectrometry (UPLC-QTOFMS) (Waters Corporation, Milford, MA, USA) were used for the analysis of chemical components in Gancao extract. A 100 mm 2.1 mm UPLC BEH C-18 column (Acquity 1.7 mm) together with a gradient of aqueous acetonitrile with 0.1% of formic acid were used for chemical separation. QTOFMS was conducted in a negative mode with electrospray ionization. The data were collected by MassLynx 4.1 (Waters Corporation, Milford, MS, USA) and further analyzed by SIMCA-P (Umetrics, Kinnelon, NJ, USA).

      Mass Spectrometry Analysis

      Ultra-performance liquid chromatography and quadrupole time-of-flight mass spectrometry

      Electrospray ionization

      Negative

      Gradient of aqueous acetonitrile with 0.1% of formic acid

      100 mm 2.1 mm UPLC BEH C-18 column (Acquity 1.7 mm)