News

Jan 20th, 2017
Organisation of CASMI 2017 is underway, stay tuned!

Dec 4th, 2016
The MS1 peak lists for Category 2+3 have been added for completeness.

May 6th, 2016
The winners and full results are available.

April 25th, 2016
The solutions are public now.

April 18th, 2016
The contest is closed now, the results are fantastic and will be opened soon!

April 9th, 2016
All teams who submit before the deadline April 11th will be allowed to update the submission until Friday 15th.

February 12th, 2016
New categories 2 and 3 and data for automatic methods released. 10 new challenges in category 1.

January 25th, 2016
E. Schymanski and S. Neumann joined the organising team, additional contest data coming soon.

January 11th, 2016
New CASMI 2016 raw data files are available.


Challenge Solutions Category 1
Please use the tabs above to navigate to the solutions for Categories 2+3.

The information is also available as CSV for download

ChallengeName Compound Structure
Challenge-001 Dibromophakellin
C11H11Br2N5O
PubChem: 42636938
ChemSpider: 9592765
Challenge-002 Oroidin
C11H11Br2N5O
PubChem: 6312649
ChemSpider: 4880362
Challenge-004 Cytochalasin B
C29H37NO5
PubChem: 5311281
ChemSpider: 4470791
Challenge-005 Cymoside
C27H34N2O10
PubChem: 118984484
ChemSpider: NA
Challenge-006 Dibromophakellin
C11H11Br2N5O
PubChem: 42636938
ChemSpider: 9592765
Challenge-007 Oroidin
C11H11Br2N5O
PubChem: 6312649
ChemSpider: 4880362
Challenge-008 Cytochalasin B
C29H37NO5
PubChem: 5311281
ChemSpider: 4470791
Challenge-009 Brucine
C23H26N2O4
PubChem: 442021
ChemSpider: 390579
Challenge-010 Creatinine
C4H7N3O
PubChem: 588
ChemSpider: 568
Challenge-011 Anthrone
C14H10O
PubChem: 7018
ChemSpider: 6751
Challenge-012 Flavone
C15H10O2
PubChem: 10680
ChemSpider: 10230
Challenge-013 Medroxyprogesterone
C22H32O3
PubChem: 541103
ChemSpider: 471209
Challenge-014 Abietic acid
C20H30O2
PubChem: 10569
ChemSpider: 10127
Challenge-015 Estrone-3-(beta-D-glucuronide)
C24H30O8
PubChem: 115255
ChemSpider: 103124
Challenge-016 Alizarin
C14H8O4
PubChem: 6293
ChemSpider: 6056
Challenge-017 Thyroxine
C15H11I4NO4
PubChem: 853
ChemSpider: 830
Challenge-018 Purpurin
C14H8O5
PubChem: 6683
ChemSpider: 6431
Challenge-019 Monensin
C36H62O11
PubChem: 28263
ChemSpider: 26293