Methods, apparatus, and computer-readable media for glycopeptide identification
AssigneeAgency for Science, Technology and Research
InventorsSern Farh Matthew Choo, Terry Nguyen-Khuong, Pauline Mary Rudd
Life of this patent
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Abstract
A method identifies glycopeptides in a sample. The method includes converting a mass spectrum of MS1 precursors of the sample into a plurality of nodes in a graph, each node corresponding to one mass and one retention time of a glycopeptide to be identified in the sample; calculating differences in the mass and/or retention time between all combinations of pairs of the nodes; generating a graph theoretic network of the nodes; and predicting compositions of the glycopeptides in the sample based on the graph theoretic network of the nodes so as to identify the glycopeptides.
Claims25
A method for identifying glycopeptides in a sample, the method comprising:
- converting a mass spectrum of MS1 precursors of the sample into a plurality of nodes in a graph, each node corresponding to one mass and one retention time of a glycopeptide to be identified in the sample;
- calculating differences in the mass and/or retention time between all combinations of pairs of the nodes;
- generating a graph theoretic network of the nodes;
- and
- predicting compositions of the glycopeptides in the sample based on the graph theoretic network of the nodes so as to identify the glycopeptides.
An apparatus for identifying glycopeptides in a sample, the apparatus comprising:
- at least one input module;
- at least one output module;
- at least one processor;
- and
- at least one memory including computer program code;
- wherein the input module is configured to receive data from a liquid chromatographymass-spectrometry (LC-MS) system, the data including mass spectrum data,
- wherein the output module is configured to output a result of the identified glycopeptides, and
- wherein the at least one memory and the computer program code are configured to, with the at least one processor, cause the apparatus at least to:
- convert a mass spectrum of MS1 precursors of the sample into a plurality of nodes in a graph, each node corresponding to one mass and one retention time of a glycopeptide to be identified in the sample;
- calculate differences in the mass and/or retention time between all combinations of pairs of the nodes;
- generate a graph theoretic network of the nodes;
- and
- predict compositions of the glycopeptides in the sample based on the graph theoretic network of the nodes so as to identify the glycopeptides.
Dependencies are inferred from the claim text.