Publication

A method and system to build an ir fingerprint database for the structural identification of biomolecules

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Priyanka Bansal, Robert Paul Pellegrinelli
2022
Patents

Abstract

A method, system, and computer-readable medium for identifying and creating a database of isomers and isobars of molecules including the steps of performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules, measuring mass-to-charge ratios (m/z) to obtain IR fingerprints of the separate isomeric or isobaric molecules, and storing first data on the mass-to-charge ratios (m/z) and/or the IR fingerprints of the separate isomeric or isobaric molecules to a database.

Official source

https://infoscience.epfl.ch/entities/publication/4794cb1d-3818-466d-ba2b-539257fa4659

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A method and system to build an ir fingerprint database for the structural identification of biomolecules

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