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

Identifying molecules from MS1 spectra

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

bioanalytics.substack.com

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

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

Processing PubChem with Polars (Python)

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

bioanalytics.substack.com

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...

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

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

bioanalytics.substack.com

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

Optimizing Chromatography for Untargeted Metabolomics

A data-driven approach

bioanalytics.substack.com

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...

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)

Naama Kanarek@naama-kanarek.bsky.social · 2y ago

We established a network of scientists from academia and industry who do hands-on metabolomics and think its much more fun to do it together! check this out: www.moboston.com