After setting all parameters, it's time to input and analyze the measured data. The last two steps of the wizard:
You can paste a list of peaks or upload it from a file. Peaklists must be in format
<mass> <intensity> .
To analyse spectra of the same compound, but at different collision
energies, additional spectra can be added to the analysis by pressing the button next next to Add
more spectra.
The collision energy of the spectrum. If the spectra are measured using different collision energies, you can change the collision energy when adding an additional spectrum. In this case we can deduce that some peaks can not represent direct fragments of other peaks.
The total ion current of the spectrum. If the spectra are measured using different TIC, you can change the TIC when adding an additional spectrum.
The focused mass is the mass that the first mass analyzer was set to let pass. It will be used to determine the parent compound mass. If set to 0, it will use the peak with highest mass in the spectrum as parent peak.
In the last step, the peaks have been merged and fragments and the parent compound have been identified. You can edit the them by rightclick onto any peak and choosing any option.
Creates a new fragment from the selected peaks.
Assign selected peaks and/or fragments as new parent compound, if you disagree with the automatic assignment.
Delete selected peaks, fragments or the compound.
You need to select, which fragments will be included in the analysis, by default all are selected. By pressing Finish, a new project will be created in the workspace. If you select Run analysis immediatly after closing wizard the analysis will start as soon as you press Finish.