GNPS - KendrickMassFilter_EvaluationDataset_PUBLIC
Ontology highlight
ABSTRACT:
INSTRUMENT(S): Q Exactive
ORGANISM(S): Homo Sapiens (ncbitaxon:9606)
SUBMITTER: 
Pieter Dorrestein Alan Jarmsusch
PROVIDER: MSV000081544 | GNPS |
REPOSITORIES: GNPS
Publications
Computational Removal of Undesired Mass Spectral Features Possessing Repeat Units via a Kendrick Mass Filter.
da Silva Ricardo R RR Vargas Fernando F Ernst Madeleine M Nguyen Ngoc Hung NH Bolleddu Sanjana S Del Rosario Krizia Karen KK Tsunoda Shirley M SM Dorrestein Pieter C PC Jarmusch Alan K AK
Journal of the American Society for Mass Spectrometry 20180928 2
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 MS<sup>1</sup> spectra. The KMF is analogous to mass defect filtering but utilizes homology information via Kendrick mass scaling in combi ...[more]
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