We are absolutely honored and excited that our newest publication on our tag-free screening platform has been highlighted by Derek Lowe on his Science Magazine blog, “In the Pipeline”, about drug discovery and the pharma industry.
E. van der Nol et al. Nat. Commun. (2025) doi: 10.1038/s41467-025-65282-1
We just hit 1,000 followers on LinkedIn, and we are incredibly grateful for your support. Our LinkedIn page is dedicated to bringing you the latest updates on SIRIUS, from new features and exciting applications to helpful tutorials and background knowledge.
The newest Agilent Technologies MassHunter Explorer 2.0 release integrates direct access to advanced unknown compound elucidation with SIRIUS.
Now, you can send statistically significant features directly to SIRIUS for advanced molecular formula annotation, structure prediction, and compound classification.
As we prepare for longer human missions beyond Earth, understanding the invisible ecosystems of space habitats has become critical for astronaut health. The International Space Station (ISS) is not just a home and laboratory—it is also a closed microbial and chemical environment unlike anything on Earth. This study mapped the ISS microbiome and metabolome in unprecedented detail, uncovering its vast chemical “dark matter” using SIRIUS.
R. A. Salido et al. Cell (2025) doi: 10.1016/j.cell.2025.01.039
Our recent study co-authored by researchers at Bright Giant, FSU Jena, Leiden University and Oncode Institute introduces a major leap forward in affinity selection screening for early drug discovery: Self-Encoded Libraries. Our approach uses advanced mass spectrometry to screen hundreds of thousands of small molecules in a single experiment, bypassing the significant limitations of traditional high-throughput screening as well as affinity selection with barcoded libraries. It allows drug discovery teams to identify high-affinity drug candidates faster, more affordably, and against targets previously inaccessible to common screening methods.
E. van der Nol et al. Nat. Commun. (2025) doi: 10.1038/s41467-025-65282-1
We’ve launched a quick user survey to hear directly from you about how you’re using SIRIUS, its impact on your work, and the challenges you’d love to see solved.
Your insights will influence upcoming features and improvements.
Human milk is the ideal source of nutrition for infants, but growing concerns exist about the presence of chemical contaminants that can find their way into it. For years, scientists have relied on targeted analysis, a method that can only find what they are already looking for. In this non-targeted approach utilizing SIRIUS, researcher successfully identify common and previously unreported chemical contaminants and gain a more comprehensive understanding of the chemical exposures mothers and infants face.
Z. H. Chi et al. Chemosphere (2025) doi: 10.1016/j.chemosphere.2025.144154
🥇 SIRIUS has emerged as the leading suite for molecular structure annotation from MS/MS data
A recent review on mass spectrometry-based metabolomics for natural product research positions SIRIUS as the leading suite for molecular structure annotation, because of its comprehensive and modular design, its proven ability to handle large-scale analyses, and its integration of multiple powerful subtools that address various aspects of annotation.
A. Rutz et al. Nat. Prod. Rep. (2026) doi: 10.1039/D5NP00034C
Do you ever look at the best hit from a structure database search and instantly know how to improve it?
In SIRIUS, your chemical intuition just got a powerful new tool: the Structure Sketcher. This new tool empowers you to manually refine and modify candidate structures, turning initial hypotheses into high-confidence annotations. It’s the perfect way to apply your expertise and improve your results.
Learn how to use the Structure Sketcher in our new tutorial.
We’re blown away by the growth of the SIRIUS community! The demand for accurate small molecule identification is accelerating, and we’re seeing unprecedented usage and impact of our software across the globe. Thank you for being part of this journey.
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.
The Böcker Lab has introduced a groundbreaking two-step method that changes the game of retention time prediction. Instead of predicting retention times directly, the method predicts a Retention Order Index (ROI)—a simple ranking that reflects the order in which compounds elute. This ROI can then be mapped to retention times with ease.