Great first day of #asms short course on #metabolomics by Gary Patti! It is great to learn about some of the challenges the field is facing! Also - makes me feel like we all have a lot of work to do! #StructureElucidation

Really excited for more and more mergers of #IRspectroscopy and #massspectrometry! These experiments will pave the way for new #StructureElucidation technologies. Excited to give this paper a read!

https://chemrxiv.org/engage/chemrxiv/article-details/6357bbbdaa2784114c4ba1a2

Always looking for #academic #MachineLearnning software/Algo’s/tools that aide in #StructureElucidation!

This can (does) include #CollisionalCrossSection prediction, #FragmentIonPrediction and retention time prediction!

None of them work really well now, but accumulating these tools for the tool kit could make the difference someday! Really looking for #recommendations !

#teammassspec