Confirm compound identity using MS
You confirm the compound identity by comparing the current MS spectrum of a peak against the MS reference spectrum that has previously been added to the processing method.
For example, with Scan data:
Prerequisites
To be able to carry out the procedure as described, you need the privilege Processing Method > Edit identification parameters. Privileges are configured in the Control Panel.
If the project enforces method approval, the method status must be Generic. For details, see Method approval.
Select the relevant TIC SCAN or EIC peak in a reference injection, and right-click the peak to add the MS reference spectra to your processing method (see Add MS reference spectra for details).
Click Reprocess All.
To show the MS confirmation match score: In the Injection Results window, click
and select the MS Conf. Match
Score column.Match factor > 995: Spectra are very similar.
-
995 > Match factor > 990: There is some similarity.
Match factor < 990: Data should be observed carefully.
If you create a quant method, MS reference spectra (if available) are automatically added.
The spectra at the TIC SCAN or EIC peak apexes are compared with the MS reference spectra stored in the method. The MS confirmation match score is calculated.
If the match factor is greater than the limit set in the method, the compound identity is confirmed and the match factor is displayed with a green background; otherwise it is displayed with a red background. Generally, match factors can be evaluated as follows: