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