Many advances have been made in compound identification over the past 6 years. A new CASMI contest ("comparative assessment of small molecule identifications") is overdue.

This year the contest is organised by the Team of Oliver Fiehn (UC Davis).

To render this new CASMI 2022 like an actual metabolomics study, the team provides raw LC-accurate mass MS/MS data in both +ESI and - ESI mode, with a list of 500 compounds and their retention times and accurate m/z values. Compounds are not included in public libraries but comprise both metabolites and exposome chemicals.

Please head over to the UC Davis CASMI 2022 site for all details: