What’s new in SIRIUS 6.3.4

Have you tried the latest version of SIRIUS and tested our new features yet?

✨ Directly integrate our curated spectral library containing high-quality public spectra from major repositories, including GNPS, MassBank, and MsnLib
✨ Export BioTransformer outputs as a structured reference databases
✨ Export publication-ready figures of fragmentation patterns as high-quality vector graphics in SVG format
✨ Directly navigate (jump) via right-click context menu to related features
✨ Get a warning if your manually modified structure is already in the candidate list
✨ Manually force to override automatic tool selection if you already have intermediate results and wish to avoid re-computation of computationally intensive jobs
✨ Retain high-resolution MS/MS spectra while excluding low-resolution or incompatible GC-MS data when importing public or custom spectral libraries

Download SIRIUS now and let us know what you think!

The easy way to comprehensive structure elucidation​

SIRIUS is the comprehensive software solution for the high-throughput identification of small molecules from fragmentation mass spectrometry data. SIRIUS provides a comprehensive set of features spanning every step from feature detection to detailed result validation. It is designed to not only accurately characterize known compounds but also to confidently identify “unknown unknowns” in complex biological samples. 

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