Our SIRIUS 4 paper is now available at Nature Methods

We are happy to announce that our paper “SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information” is now available online at Nature Methods.

  • K. Dührkop, M. Fleischauer, M. Ludwig, A. A. Aksenov, A. V. Melnik, M. Meusel, P. C. Dorrestein, J. Rousu, and S. Böcker, “Sirius 4: Turning tandem mass spectra into metabolite structure information,” Nature Methods, doi 10.1038/s41592-019-0344-8, 2019.

View-only access to the paper is available here.


SIRIUS and CSI:FingerID user meeting?

With SIRIUS and CSI:FingerID gathering interest in the community, we are thinking about a SIRIUS and CSI:FingerID user meeting (a SIRIUS user meeting, so to say) in Jena. This would be a 2-3 day come-together with the possibility to show what your are doing with our tools, discuss with the developers, give us feedback on what is SIRIUSly needed etc. We are open to suggestions.

But most importantly: Are you interested in such a meeting? Would you come to Jena for 2-3 days? When would be a good time? (September is the default, but this is usually packed.)

In case you are interested, please let us know. You can leave your comment below, but please also send an email to the SIRIUS email address.


SIRIUS+CSI:FingerID release

SIRIUS+CSI:FingerID leaves the alpha state. You can download it here. A few highlights of the new version:

  • Searching your tandem mass spectra in molecular databases using CSI:FingerID
  • Restrict the SIRIUS molecular formula identification to formulas appearing in molecular databases – or search through the whole space of possible formulas. It’s up to you.
  • Sort you identification results by confidence such that more reliable identifications (e.g. from high quality spectra or easy recognizable compounds) are separated from bogus identifications.
  • Predict structural features and substructures from tandem mass spectra and visualize them in your candidate structure list.

Don’t hesitate to give us your feedback, report bugs or suggesting new features. Just write to