Novel transformation product annotation with SIRIUS
In this talk, we’ll introduce a new, transparent and interpretable workflow built into SIRIUS that combines structure generation with BioTransformer, annotation via CSI:FingerID, high-speed spectral & analog search with a novel linear-time cosine similarity algorithm and combinatorial fragmentation to annotate substructures & MS/MS peaks.
Talk at Metabolomics 2025
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- SIRIUS Events
- Franziska Hufsky
The easy way to comprehensive structure elucidation
SIRIUS is the comprehensive software solution for the high-throughput identification of small molecules from fragmentation mass spectrometry data. SIRIUS provides a comprehensive set of features spanning every step from feature detection to detailed result validation. It is designed to not only accurately characterize known compounds but also to confidently identify “unknown unknowns” in complex biological samples.
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