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SIRIUS is setting new standards in molecular identification, enabling the elucidation of previously uncharted compounds, and making a valuable contribution to both science and industry. Here you’ll find a variety of posts showcasing how SIRIUS advances metabolomics and molecular identification.

  • Discoveries: Explore how research groups are leveraging the power of SIRIUS to elevate their metabolomics data analysis across various fields, including drug discovery, diagnostics, food industry, environmental toxicology, and materials science. For an extensive list of discoveries, click here.
  • Application Notes: Learn practical strategies from our real-world applications alongside detailed information on how to get the most out of SIRIUS in your analyses.
  • Tutorials: Read our step-by-step guides to help you master SIRIUS features and workflows.
  • Projects: Our commitment is to continue improving SIRIUS and shaping the future of metabolomics research by initiating new research projects.
  • Background: Learn more about the science and concepts behind SIRIUS to get a deeper understanding of its capabilities.
Discoveries

How to Constrain the Molecular Structure Search Space with Chemical Labeling

Unlocking the chemical ‘dark matter’ in metabolomics is a persistent challenge. A new approach addresses this by integrating derivatisation reactions for chemical labeling directly into the mass spectrometry workflow. It provides crucial structural information which is fed into small molecule annotation tools like SIRIUS to significantly constrain the molecular structure search space and boost annotation accuracy, even for previously undiscovered compounds. This powerful approach offers a scalable solution to unlock the vast, uncharted chemical space of the metabolome.

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Franziska Hufsky 2025-09-15 No Comments
Tutorials

How to Manually Refine Structures for Better Annotation

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 tutorial will demonstrate how you can leverage your own chemical knowledge to manually modify a candidate structure to achieve even better annotation results.

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Franziska Hufsky 2025-08-25 No Comments