We are beyond happy to see so many contributions from the #SIRIUScommunity at tat #Metabolomics2025. Don't miss the opportunity to get in touch and gain first-hand insights how you can integrate SIRIUS into your annotation workflow.
23.06.2025 13:08 β π 8 π 4 π¬ 0 π 0
Untargeted metabolomics reveals farming practice- and cultivar-driven modulations of pea (Pisum sativum L.) seed metabolome https://www.biorxiv.org/content/10.1101/2025.06.23.661072v1
24.06.2025 18:02 β π 0 π 1 π¬ 0 π 0
If youβre attending #metsoc2025 and interested in legume biology, stop by at poster #1228 to see how we putatively annotated new chloroauxin derivatives using computational metabolomics @gnps2.bsky.social, among other interesting metabolites @metsoc.bsky.social
24.06.2025 09:13 β π 3 π 1 π¬ 0 π 0
The Mass Spectrometry Query Language (MassQL) is an open-source language for instrument-independent searching across mass spectrometry data for complex patterns of interest via concise and expressive queries without the need for programming skills.
www.nature.com/articles/s41...
13.05.2025 15:25 β π 38 π 16 π¬ 1 π 2
I am thrilled to share after years of work/procrastination that the MassQL manuscript is finally published in @natmethods.nature.com - "A universal language for finding mass spectrometry data patterns". This was an team effort from all co-authors that helped shape MassQL and how it could be used.
12.05.2025 18:10 β π 40 π 17 π¬ 1 π 2
We want to establish the identification of unknown small molecules:
Profound algorithms and state-of-the-art machine learning software solutions for small molecule mass spectrometry analysis.
https://bright-giant.com/
PostDoc at UC San Diego | Untargeted Metabolomics | Microbiome
Assistant Professor at the University of Copenhagen | Nutritional metabolomics | biomarkers | dietary assessment | precision nutrition | cardiometabolic diseases
sysbio, metabolism, metabolomics #ETH Zurich.
Free thoughts on metabolomics.blog
Discover our #openaccess journals devoted to the application and development of #MachineLearning and #ArtificialIntelligence for the sciences, health, earth and engineering.
ML Series: https://bit.ly/3FUYyNe
AI for Science: https://bit.ly/3QZlflu
Proofig AI: Image Proofing & Integrity software for scientific publications. Automatic detection of manipulation, duplication, plagiarism & AI-generated images.
proofig.com
Assistant Professor @ UCR
Computational Mass Spectrometry, Bioinformatics.
#massspec #molecularnetworking #GNPS #MassQL
https://www.cs.ucr.edu/~mingxunw/
Scientist UC San Diego
Director MSCollaboratory
If you are working on aquatic symbiosis and interested in applying metabolomics, visit https://mscollaboratory.ucsd.edu
#MassSpec #NaturalProducts #SmallMolecules #Chemistryπ
#Surfing #Boardgames #Nature
Information shared through reposts π does not constitute an endorsement or approval by the Early Career Members Network (EMN) of the Metabolomics Society - https://www.linkedin.com/company/emn-metsoc/
https://github.com/mzmine/mzmine
https://mzmine.github.io/mzmine_documentation/
I love molecules microbes make and mass spectrometry. I can spend hours looking at MS/MS with the dream we can annotate every molecule.