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US 7,741,126 B2Granted
Automated identification of carbohydrates in mass spectra
AssigneePalo Alto Research Center Incorporated
InventorDavid Goldberg
Life of this patent
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Abstract
Disclosed is a computerized method for identifying peaks corresponding to glycans from a mass spectrum. At least one glycan spectrum is received from a mass spectrometer, with each glycan spectrum including peaks having a measured mass. Glycan identifications are automatically assigned to each of the peaks and these assignments are then reported.
Claims11
A computerized system for assigning glycans to mass peaks in mass spectra of said glycans, comprising:
- a processor configured to perform operations of:
- receiving at least one mass spectrum of at least one glycan, wherein at least one of said peaks in said at least one mass spectrum corresponds to a measured mass of said at least one glycan;
- constructing a monosaccharide set table for possible glycans, wherein at least one row represents the monosaccharide composition of at least one possible glycan;
- applying a set of rules generated for the at least one glycan based on experimental and/or biosynthetic conditions, which limit the number of the potential glycans;
- eliminating rows from the monosaccharide set table which do not satisfy said set of rules;
- calculating at least one theoretical mass for at least one remaining glycan in the monosaccharide set table;
- and,
- assigning at least one glycan to the at least one peak by comparing said measured mass to said theoretical mass.
5 more elements
Dependencies are inferred from the claim text.