News

Unknown PFAS annotation in complex samples with SIRIUS

Want to have a peek at the newest SIRIUS developments and upcoming software features at ASMS 2026?
Visit us at our Poster WP 432 on Wednesday, June 03.

Identifying unknown PFAS in complex samples usually feels like a trade-off:
❌ Specialized tools often suffer from high false-positive rates.
❌ General tools often filter out high-fluorine formulas just to save on computation time.

✨ We present the integration of a specialized PFAS detection strategy directly into SIRIUS to merge it with general small molecule annotation.

Stop by at our poster to discuss with Kai Dührkop how our newest approach will accelerate your PFAS detection workflow.

SIRIUS Community Contributions at ASMS 2026

✨ We are proud to see the SIRIUS Community covering so many different research fields at ASMS 2026. From toxicology, food safety, natural products to E&Ls and even neuroscience. It is incredibly rewarding to see our software powering such diverse and impactful science.

If you’re attending ASMS, make sure to add the community highlights to your schedule.

ASMS Advance Registration Deadline

ASMS 2026 is just around the corner! Don’t miss the Advance Registration Deadline on April 30.

We can’t wait to see you there to show you SIRIUS 6 in action.
📍 Stop by Booth 606 to say hi!

Analytica 2026 Reminder

The largest gathering for laboratory technology and analysis is just days away, and we are geeting ready to meeting you in Munich! See SIRIUS 6 in action—from automated LC-MS/MS preprocessing to de novo structure generation of unknowns.

Meet us at Analytica 2026

Stop by our booth to see SIRIUS in action. Whether you are tackling drug discovery, E&L detection, PFAS analysis, or natural product dereplication, our latest machine learning models are designed to accelerate your structure elucidation workflows.

Meet us at ASMS 2026

We have secured our spot for ASMS2026 in sunny San Diego! ☀️

If you’re attending, make sure to visit us at our booth next to the main entrance.

We truly look forward to meeting many of you to discuss how SIRIUS will improve your small molecule analysis.

Workshop Recap

Automated Annotation with SIRIUS 6
We had an incredible turnout, with over 80 interested (future) SIRIUS users filling the room.

We demonstrated how SIRIUS 6 is transforming small molecule annotation by going beyond traditional spectral libraries. By combining structural database searching and molecular structure generation, SIRIUS 6 offers a powerful, integrated approach to annotation. We also highlighted the seamless integration of spectral libraries for robust validation through analog searching.

It was inspiring to see such strong interest in advanced metabolomics tools. We wrapped up with a vibrant 20-minute Q&A.

Thanks to everyone who joined and engaged so actively!

Talk at Metabolomics 2025

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.

SIRIUS at Metabolomics 2025

We’re thrilled to share our SIRIUS contributions at Metabolomics 2025 in Prague! 🇨🇿

We can’t wait to engage with the metabolomics community, share our expertise, and showcase how SIRIUS 6 is empowering more confident, comprehensive analyses.