Figure 3

Screenshot of MetaboMiner's "Search View". The left panel shows the library compounds that have matches in the query peaks. The selected checkbox indicates the corresponding compound is considered to be present by MetaboMiner. 'R' or 'F' indicates whether the compound is identified during the reverse search or forward search, respectively. On the right panel, the reference peaks (in red) of the current selected compound is displayed with query peaks as background. The color variations represent the peak intensities with the dark green corresponding to the strongest peak intensities. When the mouse is placed over any synthetic peak, all its information (name, position, uniqueness values, etc.) will be displayed on the view panel. Right clicking on any peak will allow users to search the spectral library for this particular peak.