News
July 31st, 2014
The first articles appeared in the proceedings. Feb 3rd, 2014
The organising committee has declared the winners. Jan 15th, 2014
The automatic evaluation results are out. Jan 15th, 2014
Check the authors information on the proceedings page. Jan 1st, 2014
The solutions are online. Dec. 3, 2013
The submission deadline is approaching fast! Please email submissions to casmi2013@massbank.jp Oct. 1, 2013
Details about the CASMI 2013 Special Issue and dates are now available! Sept. 24, 2013
The rules and challenge data pages have been updated. Sept. 2, 2013
The CASMI 2013 Challenges have been officially released! August 29, 2013
The challenges for CASMI2013 will be released on Monday, September 2nd!
July 31st, 2014
The first articles appeared in the proceedings. Feb 3rd, 2014
The organising committee has declared the winners. Jan 15th, 2014
The automatic evaluation results are out. Jan 15th, 2014
Check the authors information on the proceedings page. Jan 1st, 2014
The solutions are online. Dec. 3, 2013
The submission deadline is approaching fast! Please email submissions to casmi2013@massbank.jp Oct. 1, 2013
Details about the CASMI 2013 Special Issue and dates are now available! Sept. 24, 2013
The rules and challenge data pages have been updated. Sept. 2, 2013
The CASMI 2013 Challenges have been officially released! August 29, 2013
The challenges for CASMI2013 will be released on Monday, September 2nd!
Example data (and solution)
Category 1 - The submissions
The first participant used a molecular formula calculator to obtain this result. The correct formula, C20H20NO5 is ranked #35 out of 172, with a (normalized) score of 0.0114. The second participant knew how to make use of the isotopic pattern and obtained this result. The correct formula C20H20NO5 is ranked first out of 331, with a score of 0.972. The third participant used the isotope pattern and the MS/MS to obtain the correct neutral formula C20H19NO5 in top place with a score of 0.581. A fourth potential participant determined the correct formula with score 1 and would have won the contest, but missed the submission deadline - try again for CASMI 2014!Example Metadata Submission
ParticipantID: schymane
Category: category1
Authors: Schymanski, Emma(1) and Neumann, Steffen(2)
Affiliations: (1) Eawag: Swiss Federal Institute of Aquatic Science
and Technology, Dübendorf, Switzerland
(2) IPB Halle, Dept. of Stress and
Developmental Biology, Halle, Germany
Automatic methods: yes
Abstract
MOLGEN-MS/MS was used with the peak lists provided. Where no
evidence of halogens was present, the elements CHNOPS were chosen.
Default parameters were MS accuracy 5 ppm, MS/MS accuracy 10
ppm, using the existence filter and allowing "OEI" ions to explain
MS/MS peaks. The option to use positive or negative ionisation was
taken from the information on the web, using +H for positive and -H
for negative. Multiple MS/MS files were combined them to get the
maximum number of peaks, using the peak of highest intensity
The combined match value was used as the score.
Example Challenge Submission
C20H19NO5 0.58128 C5H15N13O6 0.41143 C21H15N5O 0.32911 C4H19N9O10 0.27592 C6H11N17O2 0.19002 C2H7N23 0.09254The file can be downloaded here.