News

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!

August 29, 2013
The CASMI 2012 poster will be presented in Langenau in November 2013


Challenge Solutions

LC/MS The Solutions

Challenge Data Compound Structure
Challenge0
PPM: 2.5 		Chelidonine
C20H19NO5
PubChem: 10147
ChemSpider: 9741
Challenge1
PPM: -0.083 		Kanamycin
C18H36N4O11
PubChem: 6032
ChemSpider: 5810
Challenge2
PPM: 30.83
recalibrated: -0.88 		1,2-Bis-O-sinapoyl-beta-D-glucoside
C28H32O14
PubChem: 5280665
ChemSpider: 4444262
Challenge3
PPM: -3.6 		Glucolesquerellin
C14H27NO9S3
PubChem: 46173875
ChemSpider: NA
Challenge4
PPM: 7.1
recalibrated: -2.3 		Escholtzine
C19H17NO4
PubChem: 12304178
ChemSpider: 16740500
Challenge5
PPM: 3.1
recalibrated: -6.1 		Reticuline
C19H23NO4
PubChem: 10233
ChemSpider: 9816
Challenge6
PPM: 7.86
recalibrated: -0.64 		Rheadine
C21H21NO6
PubChem: 197775
ChemSpider: 171184
Challenge10
PPM: 2.2 		1-Aminoanthraquinone
C14H9NO2
PubChem: 6710
ChemSpider: 6454
Challenge11
PPM: -2.8 		1-Pyrenemethanol
C17H12O
PubChem: 104977
ChemSpider: 94729
Challenge12
PPM: 4.6 		alpha-(o-Nitro-p-tolylazo)acetoacetanilide
C17H16N4O4
PubChem: 221491
ChemSpider: 192174
Challenge13
PPM: 2.5 		Benzyldiphenylphosphine oxide
C19H17OP
PubChem: 76293
ChemSpider: 68772
Challenge14
PPM: -2.2 		1H-Benz[g]indole
C12H9N
PubChem: 98617
ChemSpider: 89061
Challenge15
PPM: -2 		1-Isopropyl-5-methyl-1H-indole-2,3-dione
C12H13NO2
PubChem: 2145522
ChemSpider: 1606080
Challenge16
PPM: -0.31 		1-[(4-Methoxyphenyl)amino]-1-oxo-2-propanyl 6-oxo-1-propyl-1,6-dihydro-3-pyridazinecarboxylate
C18H21N3O5
PubChem: 18091616
ChemSpider: 16896706
Challenge17
PPM: 1.8 		Nitrin
C13H13N3
PubChem: 68380
ChemSpider: 61666