Bright Giant

#SIRIUS6 in a #NonTargetedAnalysis to identify unknown chemical compounds with potential estrogenic activity to investigate the link between #DrinkingWater #contaminants and #BreastCancer incidence.

▶️ Try SIRIUS now: buff.ly/K8wQ3ER
💡 Original publication: buff.ly/SZ2LPbp

#SmallMoleculeID

Untargeted #metabolomics using #SIRIUS6 is mapping the #InternationalSpaceStation
Most extensive look yet at the microbial and chemical landscape of the ISS.

💡 Blog post: buff.ly/nGt934u (5 min)
📄 Original publication: buff.ly/s8BBclb
▶️ Try #SIRIUS6 now: buff.ly/K8wQ3ER

#SIRIUSDiscoveries

#SIRIUS6 compound class prediction helps to validate ethanol extraction for human faecal #metabolomics as a valid, safer, and more economical alternative to the common methanol extraction.

▶️ Try SIRIUS now: buff.ly/x7dNWAR
📄 Publication: buff.ly/cGkUOyi

#SIRIUSDiscoveries #Microbiome

New study from the long-running @jena-experiment.bsky.social challenges core ecological assumption: that in a diverse ecosystem, plants can save energy on defenses and focus on growth.
📄 Blog feature: buff.ly/LgCEGpL
📄 Publication: buff.ly/u6lzwUe

#SIRIUS6 #SIRIUSDiscoveries #NonTargetedAnalysis

#MultiOmics study revelead link between microbial community structure and chemical profile of the surface #metabolome in Saccharina latissima.

💡 Check out more SIRIUS discoveries: buff.ly/aI5m3ps
📄 Paper: buff.ly/uUT34E0

#SIRIUSDiscoveries #MarineBiology #Microbiology #ChemicalEcology

Green solvents can effectively extract diverse bioactive compounds from Melissa officinalis leaves. SIRIUS was employed for the comprehensive annotation of metabolites, resulting in the putative annotation of 444 metabolites.

💡 More #SIRIUSDiscoveries: buff.ly/aI5m3ps
📄 Paper: buff.ly/AEpoIFv

In this #NonTargetedAnalysis utilizing SIRIUS, researcher successfully identify common and previously unreported chemical contaminants in human milk, including novel parabens.

Blog post: buff.ly/0vQizvG
Paper: buff.ly/Mg8axQF

#SIRIUS6 #StructureElucidation

Using SIRIUS, researcher identified anti-viral compounds in Caesalpinia mimosoides hydroethanolic extract that help to inhibit influenza A virus by targeting two critical viral proteins.

▶️ Try SIRIUS: buff.ly/x7dNWAR
💡 More SIRIUS discoveries: buff.ly/aI5m3ps
📄 Original publication: buff.ly/qR8zEvb

New review on #MassSpectrometry-based #Metabolomics for #NaturalProductResearch positions #SIRIUS6 as the leading suite for molecular structure annotation.

▶️ Try SIRIUS now: buff.ly/x7dNWAR
📄 Read the full review: buff.ly/0mMyixO

#StructureElucidation #SmallMoleculeID #MachineLearning

MCheM integrates online chemical labeling reactions directly into the LC-MS/MS workflow to provide structural information which is fed into #SIRIUS6 via @mzmine.bsky.social to significantly constrain the molecular structure search space and boost annotation accuracy.

Learn more: buff.ly/iib0L6I

🧠 ✏️ Your chemical intuition, now integrated into #SIRIUS6.
Have you tried the new Structure Sketcher yet?
▶️ Watch our new YouTube tutorial to learn how to use the Structure Sketcher and elevate your annotation process: www.youtube.com/watch?v=_byB...

#HowToSIRIUS #SmallMoleculeID #MassSpec

Image AI still needs to learn a lot about chemistry 😉

How to Manually Refine Structures for Better Annotation - Bright Giant This Structure Sketcher tutorial demonstrates how you can leverage your own chemical knowledge to manually modify a candidate structure.

The Structure Sketcher 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 tutorial: buff.ly/c4cfGvW

This is where your chemical knowledge becomes indispensable, allowing you to evaluate computational hypotheses and guide further investigation. By combining SIRIUS's information with your chemical intuition, you can manually modify a structure candidate to significantly improve your annotation.

Getting a structure database hit in SIRIUS is often just the beginning, not the final step, of annotation. SIRIUS provides multiple layers for validating structure database search hits, for example compound class predictions, analogous spectral hits and substructure annotations.

Do you ever look at the best hit from a structure database search and instantly know how to improve it?
In #SIRIUS6, your chemical intuition just got a powerful new tool: the Structure Sketcher.
buff.ly/c4cfGvW

#HowToSIRIUS #SmallMoleculeID

🌍✨We're blown away by the growth of the SIRIUS community!

We're seeing unprecedented usage and impact of our software across the globe.

⬆️ 1.000.000.000+ processed queries
👥 1.500+ monthly active users

🙏 Thank you for being part of this journey. We're excited to see what you discover next!

⚠️ Important Announcement for SIRIUS 5 Users! ⚠️
Maintenance and support for SIRIUS 5 will officially end on 🗓️ February 28, 2026.

To ensure you continue to benefit from the latest advancements, we highly recommend upgrading to #SIRIUS6: buff.ly/91GQKjH

#SIRIUSSoftware #SmallMoleculeAnnotation

Explore the new features and elevate your mass spectrometry data analysis.
⬇️ Learn more and download SIRIUS v6.3 today: lnkd.in/ejcaedSw

#SIRIUS6 #SIRIUSUpdate #MassSpectrometry #MSsoftware #LCMSMS #SmallMoleculeIdentification #StructureElucidation #Biotransformation #MachineLearning

👉 For those who want to take their structure elucidation capabilities to the next level, advanced de novo features like the Structure Sketcher and MSNovelist are available with specific SIRIUS packages. All features are included with academic licenses.

🖥️ Improved Result Views
Better visualization for LC-MS preprocessing and spectral library matches makes interpretation faster and more intuitive.

👣 Interactive Software Tour Guides
New to SIRIUS? Dive right in with step-by-step guides that walk you through key features and workflows.

📊 Kendrick Mass Defect (KMD) Plots for Homologous Series
Easily visualize homologous series and identify structurally related molecules with repeating units.

✏️ Structure sketcher
Take the structure database search results and improve them with your own chemical knowledge.

🔍 Substructure Validation via Spectral Library Analog Search
Gain greater confidence in your unknown compound identifications by validating structure hits with shared substructure explanations from spectral analogs.

🔄 Biotransformer 3.0 Integration
Seamlessly incorporate biotransformation predictions into your workflows — a game changer for metabolism and degradation studies.

🚀 SIRIUS v6.3 is here!
We're excited to introduce the latest version of #SIRIUS with powerful new features to enhance small molecule identification.

⬇️ Learn more and download SIRIUS v6.3 today:
bright-giant.com/sirius-relea...

#SIRIUS6 #MSsoftware #MassSpectrometry #SmallMoleculeIdentID

Test your #SIRIUS6 knowledge! 🧠

❓ The SIRIUS software uses an ILP solver to perform which specific task ❓
Drop a comment with your answer! The correct answer will be revealed on Friday.

Learn more about #SIRIUSSoftware: buff.ly/vBOiq3F

#SmallMoleculeID #StructureElucidation

Retention time prediction is dead, long live retention order index prediction! | Lehrstuhl Bioinformatik Jena We just solved a problem that I never wanted to solve: That is, transferable retention time prediction of small molecules. They say that the best king is someone who does not want to be king; so…

We’re thrilled to share this breakthrough—and excited to see the impact it will have.
🌐 Read Sebastian's post: buff.ly/vcFreLJ
📄 Read the preprint: buff.ly/9v7PJzJ