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Preparations almost done 😄 Looking forward to welcoming you on Sunday Ilze de Klerk 10th Lipidomics Forum Lipidomics.at Many thanks to our sponsors @AvantiLipids Bruker Thermo Fisher SCIEX Omics 🏳️‍🌈 Shimadzu Scientific Agilent Technologies Ryan Roitman-Waters biocrates life sciences Lipotype Cayman Chemical

From a reunion during #SETAC #NonTarget2022, a really fun collaboration bloomed! Maternal exposure to 6PPD and 6PPDQ transfers to the brain of unborn mice fetus. Plus, 6PPDQ acts as a strong agonist towards RARα and RXRα pathways! pubs.acs.org/doi/10.1021/ac…

Good news: Our newest research just went online! We improve plasmid production by shifting the metabolism of cells via sulfate in the growth medium. Read the details here: doi.org/10.1186/s12934…

What happens when you can't assign a complete structure in MS or NMR? Aside from a lower confidence level & maybe a Markush, you can't get an InChI - or can you? We tried to explore this in our "InChI Isotopologue and Isotopomer Specifications" preprint: researchsquare.com/article/rs-372…

Fast mass spectrometry search and clustering of untargeted metabolomics data go.nature.com/41KUxll

Lipid Space Tool is here! It is a stand-alone tool to analyze and compare lipidomes by assessing their structural differences. More: lifs-tools.org/lipidspace.html

Register now! Prague Computational Mass Spectrometry Workshop, April 15-17, 2024, Prague, Czechia. Learn from the developers and power users of mzmine, SIRIUS, #matchms, The LOTUS Initiative, GNPS - UC San Diego and discuss how we can move the field forward... tinyurl.com/PragueCompMS20…

microbeMASST is finally out on Nature Microbiology! Massive thanks to all the co-authors and cannot wait to see how the #microbiome community is going to use it nature.com/articles/s4156…

Call to the microbiome community. We are building a collaborative microbial metabolite center (CMMC) knowledgbase resource to allow direct connection of microbiome derived molecules, their producers and activities. If you have published papers and want to add your 1/

"MS2Query: reliable and scalable MS2 mass spectra-based analogue search" received >8,000 downloads since its publication! Do you want to boost #metabolite #annotation in your #MassSpec #metabolomics data profiles? Access the article here: nature.com/articles/s4146… #CompMetabolomics

(Nature MS) A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect dlvr.it/T2lZ8j (RSS) #nature #MassSpecRSS

Our lab is excited to share a preprint on localizing the site of structural modifications for small molecules using ModiFinder. For those using Molecular Networking, we hope this will speed up the process of structural elucidation when propagating from known compounds.

If you enjoy bile acids, then this will be a fun read and a resource for you. It shows that we can begin using untargeted metabolomics big data mining using a mass spec query language to discover new molecules in animals and humans. cell.com/cell/fulltext/…

Here we show that prior to 2022, the metabolite Lac-Phe was mis-annotated in Metabolon, Inc. datasets as “1-carboxyethylphenylalanine.” We use this information to identify physiologic urine Lac-Phe transporters. Incredible detective work by Veronica Li biorxiv.org/content/10.110…

If sampling the International Space Station sounds interesting to you, join me Monday morning at #ASMS2024 to hear our story!

Published in J. of the American Society for Mass Spectrometry, just in time for #ASMS24! A quick bottom line - ModiFinder helps you to quickly solve structures by localizing modifications in Molecular Networking and Analog Library Search pubs.acs.org/doi/full/10.10…

FYI for GNPS2 users, we are doing server room maintenance over the weekend with power going down in 1 hour.

Caffeine’s impact on brain’s mesolimbic dopaminergic pathway could reduce alcohol’s addictive effects (by Eric W. Dolan, via PsyPost.org) Simone Zuffa Yasin El Abiead irene lorrai Pieter Dorrestein Riccardo Maccioni, PharmD psypost.org/caffeines-impa…

A study using an n=1 experiment with single standards at 0V CID reported that 70% of detected ions were in-source fragments (ISFs). nature.com/articles/s42... This was extrapolated to suggest that ISFs affect all experiments to this degree. A counterpoint. rdcu.be/ebFwc