News
March 29th, 2017
The CASMI 2016 Cat 2+3 paper is out! 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.
March 29th, 2017
The CASMI 2016 Cat 2+3 paper is out! 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 | |