A Workflow for Automatic MS Library Creation from Time-of-flight Full-Scan Data Processed in UNIFI | Waters

A Workflow for Automatic MS Library Creation from Time-of-flight Full-Scan Data Processed in UNIFI

Library Number:
LITR135047403
Part Number:
720006783EN
Author(s):
Jeff Goshawk, Gitte Barknowitz, Michael McCullagh
Source:
Waters
Content Type:
Literature
Content Subtype:
White Papers

A workflow for the efficient production of libraries from full-scan mass spectral data processed with UNIFI has been presented. The workflow encompasses all the steps required to produce high quality libraries.

The workflow can be applied to data acquired on a Q-ToF platform either with or without ion mobility capabilities. The resulting libraries contain entries with the following values: precursor mass, multiple adducts, structure, product ions, and retention time. For data acquired on ion mobility-enabled Q-ToF platforms, the additional measurement of adduct specific CCS is also included.


Title Format File Size
Download PDF PDF 2997.42kB