Computational Removal of Undesired Mass Spectral Features Possessing Repeat Units via a Kendrick Mass Filter.

ABSTRACT: Polymers are a common component of chemical background which complicates data analysis and can impair interpretation. Undesired chemical background cannot always be addressed via pre-analytical methods, chromatography, or existing data processing methods. The Kendrick mass filter (KMF) is presented for the computational removal of undesired signals present in MS¹ spectra. The KMF is analogous to mass defect filtering but utilizes homology information via Kendrick mass scaling in combination with chromatographic retention time and the number of observed signals. The KMF is intended to assist in situations in which current data processing methods to remove background, e.g., blank subtraction, are either not possible or effective. The major parameters affecting KMF were investigate

SUBMITTER: da Silva RR 

PROVIDER: S-EPMC6347485 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature