We’re excited to introduce the latest version of SIRIUS with powerful new features (v6.2/6.3) to enhance small molecule identification:
✨ Biotransformer 3.0 integration: Bio-transformations can now be automatically created during the custom database import process.
✨ Substructure validation by spectral library analog search: By highlighting shared substructure explanations and neutral losses observed in analogs you can verify if the shared structural core of a spectral library analog explains the observed data.
✨ Structure Sketcher: Manually modify existing database candidate structures and instantly re-score them against the predicted molecular fingerprint.
✨ Kendrick Mass Defect plots for homologous series: Rapidly visualize, group, and annotate structurally related molecules that share a common scaffold but differ by repeating units without requiring prior library matches.
✨ Software tour guides: This guided onboarding system uses contextual overlays, tooltips, and step-by-step walkthroughs to familiarize you with the software.
✨ Improved result views: The LC-MS View and the Library Matches View have been redesigned.
Explore the new features and elevate your mass spectrometry data analysis.
SIRIUS 6.3 is here
- News
- SIRIUS Update
- 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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