Identity elucidation of unknown metabolites

摘要

A method of elucidating the identity of an unknown metabolite comprising measuring amounts of known and unknown metabolites in subjects; associating the unknown metabolite with a specific gene from a gene association study; determining a protein associated with the specific gene and analyzing information for the protein; associating the unknown metabolite with concentrations and/or ratios of other metabolites in subjects; obtaining chemical structural data for the unknown metabolite; and using the information obtained to elucidate the identity of the unknown metabolite.

主权项

1. A method of determining the structure of an unknown metabolite when the accurate mass of the metabolite is known, comprising:
(a) measuring amounts of known and unknown metabolites in subjects; (b) associating an unknown metabolite with a specific gene using a genome wide association study; (c) determining a protein associated with the specific gene and analyzing information for the protein; (d) associating the unknown metabolite with concentrations and/or ratios of other metabolites in the subjects using a partial correlation network; (e) obtaining chemical structural data for the unknown metabolite using a mass spectrometer; and (f) correlating the results obtained from steps (a) through (e) to determine the structure of the unknown metabolite.