Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization–Mass Spectrometry
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DOI: 10.1021/acs.analchem.2c02093
Abstract: Mass spectrometry is a vital tool in the analytical chemist’s toolkit, commonly used to identify the presence of known compounds and elucidate unknown chemical structures. All of these applications rely on having previously measured spectra… read more here.
Keywords: mass spectrometry; prediction electron; electron ionization; prediction ... See more keywords