Have you tried the latest version of SIRIUS and tested our new features yet?

✨ Directly integrate our curated spectral library containing high-quality public spectra from major repositories, including GNPS, MassBank, and MsnLib
✨ Export BioTransformer outputs as a structured reference databases
✨ Export publication-ready figures of fragmentation patterns as high-quality vector graphics in SVG format
✨ Directly navigate (jump) via right-click context menu to related features
✨ Get a warning if your manually modified structure is already in the candidate list
✨ Manually force to override automatic tool selection if you already have intermediate results and wish to avoid re-computation of computationally intensive jobs
✨ Retain high-resolution MS/MS spectra while excluding low-resolution or incompatible GC-MS data when importing public or custom spectral libraries

Download SIRIUS now and let us know what you think!

⬇️ Downloadable Libraries: You can now download our integrated spectral library with curated spectra from GNPS, MassBank and MsnLib.

⬆️ Transformation Product Database Export: We now offer the export of the entire transformation product database generated with BioTransformer during your custom database import, as users love the simplicity of generating transformation products within SIRIUS.

Download the latest SIRIUS update now.

Important Announcement for SIRIUS 5 Users: Please be aware that maintenance and support for SIRIUS 5 will officially end on February 28, 2026.

To ensure you continue to benefit from the latest advancements in small molecule identification from mass spectrometry data, we highly recommend upgrading to SIRIUS 6.

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.

We’re excited to announce the latest version of SIRIUS designed to improve your small molecule analysis workflow with a refreshed interface, streamlined processes, and several important fixes that ensure smoother performance and better data handling.

• New Color Scheme: Consistent and intuitive look throughout the identification process.
• Streamlined Workflows: Tools auto-enable/disable based on workflow principles, with new presets for saving and reloading setups.
• Detect More Features: Enhanced LC-MS/MS preprocessing with improved feature detection, adduct assignment, and sensitivity.
• Welcome Page Redesign: Quick overview of account, connection details, and helpful resources.
• Improved Result Views: Enhanced result views for smoother analysis.

We are thrilled to announce the release of SIRIUS 6 introducing new features to enhance your mass spectrometry analysis of small molecules: seamless integration of spectral library search, MSNovelist, redefined COSMIC confidence score, dark mode, new API with pre-built toolkits, faster molecular formula identification, and new molecular fingerprint.
Experience the cutting-edge advancements of SIRIUS 6 and take your MS analysis of small molecules to the next (untargeted) level!