Pittcon is a premier global conference for laboratory science, bringing together experts in analytical chemistry, spectroscopy, and scientific instrumentation.
Attendees will gain insights into how AI-powered tools, like SIRIUS, can autonomously process mass spectrometry data, generate accurate mass formulas, and predict chemical structures, significantly enhancing analytical workflows. Learn how SIRIUS is transforming the way we identify and classify unknown compounds—without the need for extensive reference libraries.
News
Join us at Pittcon 2025
DiagnosTech Pitch
Beim nächsten DiagnosTech Pitch des InfectoGnostics Research Campus Jena geben wir Einblicke in unsere Software SIRIUS.
Jetzt anmelden und mehr über die Zukunft der Molekülanalyse lernen.
Join Us at Agilent Forum Analytik
Don’t miss the opportunity to attend Martin Hoffmann‘s talk about small molecule identification with SIRIUS.
The program promises an exciting lineup of lectures on key topics like microplastics, green energy, food and environmental analysis, and (bio-)pharma.
Martin will be available on both days to answer your questions and engage in discussions.
Attendance is free, but spots are limited!
Why Training Data Matters
Why is high-quality training data for machine learning important?
Machine learning is transforming the way we approach problems in analytical chemistry. But there’s a catch: ensuring reliable results requires careful selection of training data to avoid biases that can mislead models.
We explain:
✨ why high-quality training datasets are important for SIRIUS method development
✨ why representing the full “universe” of small molecules is crucial
✨ how widely used datasets fail to evenly represent the diversity of biomolecular structures
✨ which tools can help evaluating dataset quality.
F. Kretschmer et al. Nat Commun (2025) 10.1038/s41467-024-55462-w
Follow us on Bluesky!
🦋 You can now find us on Bluesky! 🦋
We’re excited to connect with you on this growing platform.
See you there!
SIRIUS 6.1.0 is here!
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.
Sustainable Pest Control Investigated with SIRIUS
Agriculture has always been a dance with nature, requiring farmers to constantly adapt to changing conditions. One particularly promising method that has emerged over recent decades is push-pull technology, a strategy that uses nature’s own defenses to protect crops and boost yields. Using SIRIUS, researchers uncovered metabolites in push-pull maize that enhance its natural defense against pests.
Screening extractables and leachables with SIRIUS
In a world where we’re becoming increasingly conscious of what we consume, understanding the potential presence of unexpected extractables and leachables in our food and drinks is paramount. Alcoholic beverages are of particular concern due to their increased affinity and extended storage periods. A non-targeted approach to analysis is essential for uncovering both known and unknown contaminants in our drinks. By analysing fragmentation patterns, SIRIUS predicts chemical structures of unknowns to identify unexpected contaminants and ensure safety of our food.
Need Help with SIRIUS?
We’ve Got You Covered!
We’re committed to ensuring you have the best experience possible with our software.
Here’s how you can find support and get answers:
- SIRIUS Documentation: For comprehensive guides, troubleshooting tips, and detailed information about SIRIUS
- Community Forum on Gitter: For community support and discussions and to connect with other users
- YouTube Tutorials: How to get started with SIRIUS and in-depth background information.
- Bug Reports and Feature Requests on GitHub: If you encounter any issues or have suggestions for new features
Meet us at Metabolomics 2024
We will present SIRIUS 6 in a workshop and a keynote talk at the 20th Annual International Conference of the Metabolomics Society in Osaka, Japan.
Make sure to get in touch to learn more about SIRIUS 6.
Assessing the consequences of thawing permafrost
Thawing permafrost, caused by climate change, releases stored carbon into the atmosphere, accelerating global warming. The enzyme latch hypothesis suggests that low-oxygen conditions in wetlands slow down enzymatic polyphenol degradation and carbon release. But are oxygen-dependent phenol oxidases really the only enzymes that microbial communities have in their arsenal? Or should we perhaps take a closer (metatranscriptomic and metabolomic) look at the microbially catalysed carbon cycle?
Join us at ASMS 2024!
Take the opportunity to engage with our team during the poster session on Monday (Poster MP 419), the “Informatics: Metabolomics and Lipidomics” session on Tuesday morning or the workshop “Spectral Libraries for the Masses” on Tuesday afternoon.
And don’t miss to visit our Bright Giant booth 353 to experience live demos of SIRIUS and consult with our expert team.