To add a specific ion as a compound to the processing method, you can use either an Extracted Ion Chromatogram (EIC or SIM) or an MS spectrum.
Prerequisites
To be able to carry out the procedure as described, you need the privileges Data Processing > Do manual compound identification. Privileges are configured in the Control Panel.
From an MS spectrum:
In the MS Spectrum window, right-click the relevant m/z value, then select Add ion as compound to the method.
An EIC is extracted from the selected ion behind the scenes. If you get the message Add ion as compound to the method - No peaks found, this EIC does not contain an integrated peak within +/- 0.02 min of the spectrum retention time. To resolve this issue, adjust your EIC integration parameters.
The new compound is listed in the compound table of the processing method. The signal for the compound is set corresponding to the selected m/z value.
From an EIC or SIM:
In the Chromatograms window, right-click the peak in the EIC signal, then select Add peak as compound to the method.
The new compound is listed in the compound table of the processing method. The signal for the compound is set corresponding to m/z value that was used to create the EIC or SIM.
From a TIC SCAN:
In the Chromatograms window, right-click the peak in the TIC SCAN signal, then select Add peak as compound to the method.
An MS spectrum is extracted behind the scenes. From the largest peak in the spectrum, an EIC is automatically extracted. If you get the message Cannot add peak(s) as compound to method, this EIC does not contain an integrated peak within +/- 0.02 min of the retention time of the TIC peak you are adding. To resolve this issue, adjust your EIC integration parameters.
The new compound is listed in the compound table of the processing method. The signal for the compound is set to the TIC SCAN signal that you used.