News

March 18th, 2015
The results and winners of CASMI-2014 are now up.

March 3rd, 2015
The solutions for CASMI-2014 are now available on the website.

January 15th, 2015
The CASMI 2014 Challenges submissions deadline has been extended to February 15th, 2015!

September 15th, 2014
The CASMI 2014 Challenges are now officially available !

September 2nd, 2014
All articles of the CASMI 2013 proceedings are now online.

April 30, 2014
First announcement at the Analytical Tools for Cutting-edge Metabolomics meeting.


Example data (and solution)

The Challenge

The example challenge data was measured on a Bruker micrOTOF-Q, with an expected <5ppm mass accuracy and 12000 resolution during routine measurements. The files were truncated around the retention time 319.5 sec, where the [M+H]+ of the unknown compound elutes during a 20 minute gradient on a Waters Acquity UPLC with acetonitrile/water. Another compound elutes at 323 sec.

MS1 peaklist
MSpos_Challenge0.txt
MS2 peaklist
MSMSpos_Challenge0.txt

The Solution

This example data was measured from Chelidonine. A very similar spectrum is available from MassBank as accession PB005903.

Use the submenus above to browse the solutions for Category 1 (formula) and Category 2 (structure).