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.
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