De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4.
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DOI: 10.1007/978-1-0716-0239-3_11
Abstract: SIRIUS 4 is the best-in-class computational tool for metabolite identification from high-resolution tandem mass spectrometry data. It offers de novo molecular formula annotation with outstanding accuracy. When searching fragmentation spectra in a structure database, it… read more here.
Keywords: novo molecular; molecular formula; structure; formula annotation ... See more keywords