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Are you frustrated by the limited #MassSpec data available for #botanical #naturalproducts? Let's fix this! #LEAFBot is a phytochemical MS2 database in GNPS - UC San Diego created by Kellogg Research Group and #Cechlab. We are accepting additions. Learn more at poster #001 Sunday #ASP2023.

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.

Thrilled that our review on plant RiPPs is out now! We group emerging plant cross-linked NPs as burpitides for the defining BURP-domain responsible for catalysis. Thanks to a great collaboration with Dr. Lisa Mydy kersten lab and @mikepasquale77 from my lab! pubs.rsc.org/en/content/art…

Confused by #PCA, PLS-DA, & OPLS-DA in #metabolomics? Our blog breaks down these 3 analyses & how they impact your research. metwarebio.com/metabolomic-an… #dataanalysis #statistics #multiomics #lipidomcis #metabolomicsdata

A “molecular Rosetta stone” that helps decipher how our #microbiome talks to our body has been revealed in a new Cell Press study by our own Pieter Dorrestein (Pieter Dorrestein), Ipsita Mohanty, Helena Mannochio-Russo and Lee Hagey. Press release➡️ bit.ly/3V9bEvP

🧪We are hiring a synthetic organic chemist with interests in natural products and biocatalysis for our ERC grant that just started! 🧪Please RT!! euraxess.ec.europa.eu/jobs/204822

This weekend we released the latest version of the Atlas DB (v2024_03). This increases the number of compounds to 36,395 and maintains links to #mibig #gnps and #npmrd

Finally! After a long journey our latest NRPS engineering story is out at science.org/doi/10.1126/sc… thanks to the hard work of several members from the @HelgeBode_lab

An amazing team effort brings us one step closer cracking the nut of #polyketidesynthase reprogramming. In our new paper published in Science Magazine, we shed light on #Engineering these multimodular assembly lines used for #naturalproduct #biosynthesis. science.org/doi/10.1126/sc…

Check out our recent News & Views by Anna Vagstad and Daniel Richter highlighting an article by Satish Nair. Unusual LanM architecture enables the biosynthesis of dehydrazoles nature.com/articles/s4158… #RiPPs #NaturalProducts #Enzyme

Introducing Andres for #ECRVoices @a_cumsille is working on #NaturalProducts and he is based in Gainesville, USA 🇺🇸

Introducing Ipsita for #ECRVoices Ipsita Mohanty is working on #BileAcids and she is based in San Diego, USA 🇺🇸

In the quiet corners of your local neighborhood, a stealthy bond-breaker prowls. 🔓🗝 Meet 𝗙𝗶𝗼𝗿𝗮, our new compound fragmentation and MS/MS prediction algorithm. Check out 𝗙𝗶𝗼𝗿𝗮 on GitHub: github.com/BAMeScience/fi… Check out our pre-print: biorxiv.org/content/10.110…

I’m happy to share a preprint about our efficient MSn library building workflow. We developed a high-throughput method and mzmine pipeline to extract 1M spectra of >16,000 compounds; all accomplished in 12 days. Contact us to customize the MSnLib. doi.org/10.26434/chemr…

Introducing Helena for #ECRVoices Helena Mannochio Russo is working on #ComputationalMassSpec and she is based in San Diego, USA 🇺🇸

Check out our protocol on reproducible #MassSpectrometry data processing and compound annotation in mzmine led by SteffenHeu tito_damiani Robin Schmid Tomáš Pluskal and bringing together many #OpenSource collaborators. Test it in mzmine 4 now. nature.com/articles/s4159…

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…

Check out another one of our open access paper. This one was a real team effort with contributions from Millipede Lab, @ImperfectFunGuy, and Tappey Jones. Congrats Paige Banks on the first, first author publication and to all involved! link.springer.com/article/10.100…

Congrats to Florian Hubrich & Sanath Kandy for this exciting story finally being published. Thanks for the fruitful collaboration with @chekanlab. If you are interested in the chemical space of #RiPP #biosynthetic #enyzmes and #isoprenoids, click here: sciencedirect.com/science/articl…

Congrats 👏 🎉 to former group member Kevin Mildau and Justin van der Hooft who joined the #VMOL #community to work on a protocol that combines molecular networking and statistical analyses, the qualitative and quantitative aspects of untargeted metabolomics: nature.com/articles/s4159…