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Bright Giant @brightgiant.bsky.social · 18/12/2025

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

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Bright Giant @brightgiant.bsky.social · 16/12/2025

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

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Bright Giant @brightgiant.bsky.social · 11/12/2025

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

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Bright Giant @brightgiant.bsky.social · 09/12/2025

#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

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Bright Giant @brightgiant.bsky.social · 04/12/2025

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

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Bright Giant @brightgiant.bsky.social · 02/12/2025

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.

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Bright Giant @brightgiant.bsky.social · 02/12/2025

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

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Bright Giant @brightgiant.bsky.social · 27/11/2025

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

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Bright Giant @brightgiant.bsky.social · 25/11/2025

🌱 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

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Bright Giant @brightgiant.bsky.social · 20/11/2025

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

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Bright Giant @brightgiant.bsky.social · 13/11/2025

#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

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Bright Giant @brightgiant.bsky.social · 11/11/2025

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

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Bright Giant @brightgiant.bsky.social · 06/11/2025

#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

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Bright Giant @brightgiant.bsky.social · 04/11/2025

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

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Bright Giant @brightgiant.bsky.social · 30/10/2025

#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

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Bright Giant @brightgiant.bsky.social · 28/10/2025

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

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Bright Giant @brightgiant.bsky.social · 22/10/2025

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

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Bright Giant @brightgiant.bsky.social · 15/10/2025

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

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Bright Giant @brightgiant.bsky.social · 08/10/2025

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

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Bright Giant @brightgiant.bsky.social · 01/10/2025

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

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Bright Giant @brightgiant.bsky.social · 24/09/2025

🧠 ✏️ 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

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Bright Giant @brightgiant.bsky.social · 11/09/2025

Image AI still needs to learn a lot about chemistry 😉

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Bright Giant @brightgiant.bsky.social · 10/09/2025

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

bright-giant.com

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.

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Bright Giant @brightgiant.bsky.social · 10/09/2025

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.

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Bright Giant @brightgiant.bsky.social · 10/09/2025

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.

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Bright Giant @brightgiant.bsky.social · 10/09/2025

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

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Bright Giant @brightgiant.bsky.social · 03/09/2025

🌍✨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!

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Bright Giant @brightgiant.bsky.social · 27/08/2025

⚠️ 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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

👉 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.

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

🔍 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.

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Bright Giant @brightgiant.bsky.social · 20/08/2025

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

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Bright Giant @brightgiant.bsky.social · 20/08/2025

🚀 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

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Bright Giant @brightgiant.bsky.social · 18/08/2025

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

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Bright Giant @brightgiant.bsky.social · 14/08/2025

⏩ If you’re into #MachineLearning: Explore the challenging, high-impact problem of ROI prediction! ⏩ If you’re running LC experiments: Contribute your datasets with authentic standards to RepoRT.

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Bright Giant @brightgiant.bsky.social · 14/08/2025

This journey builds on foundational work on retention order together with Juho Rousu and Eric Bach @aalto.fi. But in many ways, the journey is just beginning—and we invite you to join this frontier.

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Bright Giant @brightgiant.bsky.social · 14/08/2025

This unlocks an entirely new range of possibilities: ✨ Predict retention times for compounds prohibited in the lab ✨ Generate predictions for all compounds in spectral libraries and molecular structure databases ✨ Forecast retention times for molecules that don’t yet exist or are still undiscovered

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Bright Giant @brightgiant.bsky.social · 14/08/2025

Crucially, the approach does not require authentic standards from the target system, enabling true transferability—even for chromatographic columns entirely absent from the training data.

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Bright Giant @brightgiant.bsky.social · 14/08/2025

The @boeckerlab.bsky.social has introduced a groundbreaking 2-step method: Instead of predicting retention times directly, the method predicts a Retention Order Index (ROI)—a simple ranking that reflects the order in which compounds elute. This ROI can then be mapped to retention times with ease.

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Bright Giant @brightgiant.bsky.social · 14/08/2025

For years, predicting small-molecule #RetentionTimes across different chromatographic setups has been a persistent challenge. Traditional approaches typically require authentic standards measured on the exact same system to achieve accuracy—making broad transferability nearly impossible.

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Bright Giant @brightgiant.bsky.social · 14/08/2025

Times Are Changing, but Order Matters: The @boeckerlab.bsky.social has introduced a groundbreaking two-step method for transferable retention time prediction buff.ly/vcFreLJ #Chromatography #RetentionTime #MachineLearning #SmallMoleculeIdentification

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Bright Giant @brightgiant.bsky.social · 30/07/2025

SIRIUS identifies potentially allergenic transformation products of tattoo pigments in new online-LC-EC-MS approach that overcomes the challenge of impure pigment standards by separating pigments from impurities before simulating their metabolism. #SmallMoleculeID #SIRIUS6 doi.org/10.1007/s002...

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