Bright Giant

Homologous series of previously overlooked polymerization byproducts (H-PFCAs) detected near fluoropolymer production plant using #SIRIUS6.

#SIRIUSDiscoveries #PFAS #Fluoropolymers

💡 Blog post: buff.ly/P9grMJQ (3 min)
📄 Publication: buff.ly/a960M9n

Using #SIRIUS6, researchers found the #Biopesticide 6-PP to be produced via the polyketide biosynthesis pathway in Trichoderma fungi. This finding may pave the way for developing improved biocontrol agent. #SustainableAgriculture

💡 SIRIUS discoveries: buff.ly/HP0dTWO
📄 Publication: buff.ly/J5JE4Tk

Metabolic adaptations of a salt-tolerant willow are specific to the plant organ and the salt anion. The researchers used #SIRIUS6 to identify the chemical structures of unknown compounds from mass spectrometry data.

💡 SIRIUS discoveries: buff.ly/HP0dTWO
📄 Publication: buff.ly/plLgOGE

#NonTargetedAnalysis #ChemicalClassification with #SIRIUS6 identifies cell surface glycans & membrane lipids as influential drivers of adaptation to heat stress in rice coral hosting thermosensitive and thermotolerant symbionts.

💡 SIRIUS discoveries: buff.ly/HP0dTWO
📄 Publication: buff.ly/KeqUClP

Unlocking the secrets of healing mushrooms 🍄
#SIRIUS6 was instrumental in detailing the metabolic basis for the production of sesquiterpenoids in the #MedicinalMushrooms Sanghuangporus.

#SIRIUSDiscoveries #NaturalProducts

💡 More SIRIUS discoveries: buff.ly/HP0dTWO
📄 Publication: buff.ly/RDAMNtB

Fun Fact: Different from stated in the article, SIRIUS is the acronym for “Sum formula Identification by Ranking Isotope patterns Using mass Spectrometry”, originating from our very first approaches in the direction of small molecular annotation.

Hidden Players in Drug Efficacy: Using #SIRIUS6, researchers decoded the crucial role of the gut microbiome in altering the chemical structure and efficacy of GPCR drugs.
💡 Blog post: buff.ly/WtrJf2m (5 min)
📄 Publication: buff.ly/8o1ekPv

#SIRIUSDiscoveries #DrugMetabolism #PersonalizedMedicine

Based on this tutorial our software #SIRIUS6 plays a significant role in prioritization strategies for #NonTargetScreening in environmental samples by generating molecular fingerprints which are used for compound identification or toxicity prediction.

📄 Read the tutorial: buff.ly/M9gNmBR

🌱 The quest to enhance long-term soil carbon storage 🌏

#SIRIUS6 #CompoundClassPrediction was essential for annotating 80% of the previously unknown metabolite features of tall wheatgrass root exudates.

💡 More #SIRIUSDiscoveries: buff.ly/HP0dTWO
📄 Publication: buff.ly/sYB1nPm

How can we assess the risk of a compound we can't even name?
SIRIUS molecular fingerprints serve as crucial inputs for predictive models, such as #ToxicityPrediction, even when the exact identity of a compound is unknown.

📄 doi.org/10.1016/j.en...

#SIRIUSFacts #SIRIUS6 #NonTargetAnalysis

#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