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Patent

Monoisotopic mass determination of macromolecules via mass spectrometry

The present invention provides a method for the determination of the monoisotopic mass of a macromolecule from a mass Mmonospectrometry spectrum of said macromolecule based on the experimentally determined most abundant mass, with accuracy in the low parts-per-million (ppm) range. The method uses a simple, double-linear model for predicting the monoisotopic mass based on the experimentally determined most abundant mass, comprising the steps of (a) deriving the most abundant mass MMostAb from the spectrum; and (b) calculating the monoisotopic mass MMono from the most abundant mass MMostAb, using MMono = a+ ???OSTAB + ?; wherein ? is a scalar slope obtainable by fitting the slope of monoisotopic mass versus most abundant mass for a plurality of macromolecules from a macromolecule database; and ? is a scalar residue of the form ? = ?int + sfrac, ?int being an integer, and ?frac being a sawtooth function of MMostAb.
Patent Publication Number: WO2018073404
Year filing: 2017
Year approval: 2019
Year publication: 2018
Status: Requested
Technology domains: Analysis of biological materials, Computer technology
Validated for IOF-key: Yes
Attributed to: Associatie Universiteit & Hogescholen Antwerpen