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.

1. 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).

If you create a quant method, MS reference spectra (if available) are automatically added.

2. Click Reprocess All.

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.

3. To show the MS confirmation match score: In the Injection Results window, click and select the MS Conf. Match Score column.

If the match factor is greater than 750, it is displayed with a green background; otherwise it is displayed with a red background.

PVCS#B-10166