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Birgitta Ryback @birgitta-ryback.bsky.social · 27/03/2025

This type of stuff always freaks me out! But it seems unlikely that the coumarin content would actually be on toxic levels

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Birgitta Ryback @birgitta-ryback.bsky.social · 26/03/2025

Ever wonder how to figure out a molecule’s formula just from its mass? In today’s edition of Bioanalytical Bees, I break down how to ID compounds from scratch - no library, no MS2, just some mass spec magic. bioanalytics.substack.com/p/identifyin... #metabolomics #lcms

bioanalytics.substack.com

Identifying molecules from MS1 spectra

Master the art of turning intact mass spectrometry signals into molecules - no fragmentation needed

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Birgitta Ryback @birgitta-ryback.bsky.social · 25/03/2025

Thursday this week btw! Food>date with limited characters

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Birgitta Ryback @birgitta-ryback.bsky.social · 25/03/2025

Important MOB talk coming up: A tutorial on depositing data to Metabolomics Workbench. I’ll admit: I only do it when a journal requires it, and I don’t usually go the extra mile with metadata. Hoping this seminar changes my ways! (Also, there’s free food 😊) www.moboston.com/about #metabolomics

moboston.com

About | MOB

Metabolomics Of Boston, AKA MOB, is a scientific society of researchers who work hands-on with metabolomics from academia and industry in Boston and around. We meet monthly in the Boston / Cambridge a...

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Birgitta Ryback @birgitta-ryback.bsky.social · 24/03/2025

I think they used both? Honestly I'm cool with MS1 ID (better than throwing out perfectly good features) especially if there's a validation experiment, but it should be with a reasonable tolerance and formula/rt matching. I tried to check the raw data but the DB didn't find the ID :/

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Birgitta Ryback @birgitta-ryback.bsky.social · 24/03/2025

Need a reference database for metabolite profiling? Training an ML model on chemical structures? Pubchem is the world’s largest chemical database, @pola.rs streaming engine lets you wrangle it on your laptop. bioanalytics.substack.com/p/processing... #cheminformatics #bioinformatics #Chemsky

bioanalytics.substack.com

Processing PubChem with Polars (Python)

How to wrangle the world's largest chemical database on your laptop.

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Birgitta Ryback @birgitta-ryback.bsky.social · 21/03/2025

Top-4 DDA for a C18 separation leading to 631 differential metabolites? I do 2 complementary HILIC runs, top-15 DDA, and 600 _metabolites_ (not differential) is a 99th percentile result. I guess some of these annotations come from MS1 matching at that super generous 30 ppm allowable error?

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Birgitta Ryback @birgitta-ryback.bsky.social · 17/03/2025

What are internal standards and how exactly do we use them to correct for experimental hiccups? Shedding light on this important application of labelled metabolites. bioanalytics.substack.com/p/what-are-i...

bioanalytics.substack.com

What are internal standards, and why do they matter in LC/MS?

Choosing the right standard to overcome matrix effects and improve data quality

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Birgitta Ryback @birgitta-ryback.bsky.social · 14/03/2025

I hope that's the case because alternatives are worse 😆 And agreed I expect more rigor from Cell Metabolism

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Birgitta Ryback @birgitta-ryback.bsky.social · 12/03/2025

Do we still PubPeer? This is basically impossible

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Birgitta Ryback @birgitta-ryback.bsky.social · 11/03/2025

In untargeted (metabol)omics, we don’t know what we’re looking for, so how do we optimize separation while maximizing metabolite coverage? Check out this post for some practical chromatography tips I wish I’d known earlier: bioanalytics.substack.com/p/optimizing... #metabolomics #lcms

bioanalytics.substack.com

Optimizing Chromatography for Untargeted Metabolomics

A data-driven approach

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Reposted by Birgitta Ryback

HaGe Sprenger @hagesprenger.bsky.social · 17/02/2025

Our paper showing that ergothioneine controls mitochondrial function and exercise performance via direct activation of MPST is now published @cp-cellmetabolism.bsky.social Thanks to everyone involved! www.cell.com/cell-metabol...

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Birgitta Ryback @birgitta-ryback.bsky.social · 27/02/2025

A little late to Blusky but first things first: Join us at Metabolomics of Boston if you work on small molecule mass spectrometry! Come for the talks, stay for the people (& snacks, but maybe that's just me)

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