公开(公告)号：US20240145027A1

公开(公告)日：2024-05-02

申请号：US18567573

申请日：2022-06-01

申请人： ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL)

发明人： Priyanka BANSAL ,  Ahmed BEN FALEH ,  Robert PELLEGRINELLI ,  Stephan WARNKE ,  Thomas RIZZO

IPC分类号： G16B15/00 ,  G01N21/35 ,  G01N27/623 ,  G01N33/68 ,  G16B40/10 ,  H01J49/04

CPC分类号： G16B15/00 ,  G01N21/35 ,  G01N27/623 ,  G01N33/6851 ,  G16B40/10 ,  H01J49/0481 ,  G01N2201/06113

摘要： 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.