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structure-elucidation

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sirius-ms / sirius

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SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

java science bioinformatics cheminformatics molecular-structures sirius metabolomics mass-spectrometry ms-data denovo molecular-formulas ms-spectra structure-elucidation fragmentation-trees csi-fingerid fingerid isotope-pattern mass-spectra
  • Updated Nov 7, 2025
  • Java

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