Results

Click on one of the compounds below to view the results* in the preliminary MAGMa web interface:

* Note: the results provided are those obtained with the spectral data up to MS4.


Brief explanation of the MAGMaViewer interface


Molecules table (upper left)

  • Contains the candidate molecules retrieved from the PubChem database
  • The Name column contains the actual name for the correct candidate and the PubChem CID for all other candidates
  • You can sort on a column by clicking the header
  • You can filter, hide and show columns via the drop-down menu that is available at the column header
  • You can change order and width of the columns
  • By clicking a row of the table, you can select a candidate molecule

Chromatogram (bottom left)

  • In this case, the chromatogram consists of only one point representing the spectral tree measured for the compound of interest

When you have selected a candidate molecule the annotated spectral tree becomes available on the right.


Substructures (upper right)

  • This table has a tree structure: the folder icons allow you to open up the next level substructures. At the same time, the corresponding spectrum is shown at the bottom.
  • Selecting a substructure highlights the corresponding peak in the spectra below

MS spectral tree (bottom right)

  • Selecting a peak by clicking one of the green triangles highlights the corresponding substructure.
  • You can zoom in using the mouse-wheel