Revealing misannotated electrospray ionization artifacts: A systematic pipeline for heterodimer detection in untargeted metabolomics Heterodimers are non-covalent adducts formed between two co-eluting molecules during electrospray ionization (ESI). Despite their frequent occurrence …

Looking for a clear, systematic, and practical pipeline to detect and validate #heterodimers consistently in #LCMS and #CEMS-based #untargeted #metabolomics? www.sciencedirect.com/science/arti... #darkmetabolome

#UnTargeted

🔬 Using #untargeted #metabolomics in #atherosclerosis-prone mice, we identified ImP as strongly associated with plaque formation, even in the absence of cholesterol changes.
🦠 ImP concentration depend on gut #microbiota composition.
#immunosky #cardiosky #microbiomesky

This discovery opens exciting new directions in the field, bridging the gut #microbiomesky, #immunosky & #cardiosky.
👀 And it all started with a simple #untargeted #metabolomics experiment!

🧔‍♂️. “Do you know you can share RAW #untargeted #LCMS & #GCMS #metabolomics datasets at 3 different repositories:

1. #MetaboLights
2. #GNPS/ #Massive
3. #MetabolomicsWorkbench”

🧔‍♀️ “Whaaaat, for free and with ease?”

Top ion map is classical RP lipidomics, bottom is using microflow-multinozzle ESI MS. Sterol esters ionize markedly better

We combined #microflow with #multinozzle ionization-HRMS for #untargeted #lipidomics
Look at CEs!

What to choose from a buffet dinner?! So many options, so little time and space in your tummy.... In #untargeted #metabolomics, we face this during each analysis! Enter msFeaST, great work by our Kevin Mildau that combines spectral grouping and statistics! chemrxiv.org/engage/chemr...