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CFM-ID predicts MS/MS spectra at three different collision energies (at 10 eV, 20 eV and 40 eV) and in both positive and negative ionization modes, functionality which differentiates it from many alternative machine-learning methods for MS/MS spectrum prediction from chemical structures

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10.1038/s41556-018-0124-1 [DOI] [PMC free article] [PubMed] [Google Scholar] 4.Vyas S, Zaganjor E, Haigis MC