🚀 We’ve launched the new MassBank! Now live at massbank.eu & massbank.jp — redesigned with a faster backend, better search, and powerful tools for exploring & sharing mass spectral data. Enjoy the fresh experience! Feedback and ideas welcome, please post them on github.com/MassBank/Mas...

Thanks @jorainer.bsky.social , that is the culmination of twenty wonderful years at @ipbhalle.bsky.social !

Zhixu Ni presenting LipidCXSMILES developed together with @egonw.mastodon.social.ap.brid.gy and #epilipidnet and #lipidmaps here at #MetSoc2025 bridging real lipid chemical structures, and the uncertainty because MS gives only so much structural hints.

As mentioned in my talk yesterday at #MetSoc2025,@[email protected] and myself offered a bottle of wine to the winners of #CASMI 2016 contest.
Pleased to confirm eventual delivery of a fine Czech Merlot to www.linkedin.com/in/tobias-ki... for winningCategory 3: Full Information.

Hi, in case your phone didn't pick up the QR code to the slides of my Hitch-Hikers Guide to Computational Metabolomics talk this morning at #Metabolomics2025, featuring #xcms, #massbank, not #metfrag but #CASMI and #MetFamily, please find them at doi.org/10.5281/zeno...

Lange Nacht, die Wissen schafft am 4. Juli am IPB. Feines Experimentierprogramm für Groß und Klein. Mit Quiz und Preisen und Nachwuchsforscherdiplom. Mehr Infos: www.ipb-halle.de/oeffentlichk...

matchms is a wonderful fit in the microservice architecture of the MassBank software rewrite. We even have a REST interface to query MassBank programmatically.

Data has a life-cycle, and justifies that it is maintained (like software), rather than just dumped when the paper comes out.
P.S.: I think mastodon allows longer messages ;-)

2) Instead of downloading data from somewhere, massaging/fixing stuff, and doing your own analysis, get the word back upstream what didn't work with the original data ! Have the tool / data people fix things upstream, so that the next person has less pain than you did, converging on interoperability

Prepare your data for submission right away! No need to publish same time, but if your analysis is based on the same information that'll be published later, you ensure that it works for one person (you!), and certainly that'll be interoperable for others as well.

Hi, two ideas: 1) if it is about your own experimental data, be your first re-user ! Instead of doing the experiment, organising and massaging (format wise!) your data so you can analyse it, and eventually publish the data in a repository like MetaboLights, Metabolomics Workbench, ...

#Vacancy: We're offering a position as a Research associate in #ComputationalMetabolomics in @sneumann 's group!

More information: ipb-halle.de/en/career/jo...

#Bioinformatics #Metabolomics #ComputationalBiochemistry #scijobs Please share this post !