Mass shift occurs when processing data acquired on Cyclic IMS in waters_connect 3.1.1 (UNIFI 3.4.0) - WKB263697

SYMPTOMS

• Mass shift of up to 0.5 Da occurs when processing data acquired on Cyclic IMS in waters_connect 3.1.1 (UNIFI 3.4.0)

ENVIRONMENT

• waters_connect 3.1.1 > UNIFI 3.4.0 > Accurate mass workflows
• Cyclic IMS

CAUSE

Data was imported into waters_connect 3.1.0 (UNIFI 3.1.0). System was then upgraded to waters_connect 3.1.1 (UNIFI 3.4.0), and the data imported using UNIFI 3.1.0 was reprocessed using UNIFI 3.4.0. UNIFI 3.4.0 contains a software update that allows Cyclic IMS data to be imported and processed in accurate mass workflows without the 0.5 Da mass shift seen in UNIFI 3.1.0. However, the .raw data files must be imported directly into UNIFI 3.4.0 to allow them to be processed correctly. Existing Cyclic IMS data that is imported into waters_connect prior to the waters_connect 3.1.1 upgrade will still exhibit the mass shift when reprocessed using UNIFI 3.4.0 after the upgrade.

FIX or WORKAROUND

After updating from waters_connect 3.1.0 (which includes UNIFI 3.1.0) to waters_connect 3.1.1 (which includes UNIFI 3.4.0):

1. Delete any previously imported Cyclic IMS data from the waters_connect database using the waters_connect Explorer app.
2. Re-import the Cyclic IMS .raw files into waters_connect 3.1.1 using either the Explorer app or the UNIFI 3.4.0 app.
3. Reprocess the data in UNIFI 3.4.0 using the accurate mass workflow.

ADDITIONAL INFORMATION