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!


Challenge Solutions

The Solutions

Challenge Data Compound Structure
Challenge1 Feruloyl tyramine
C18H19NO4
PubChem: 5280537
ChemSpider: 4444168
Challenge2 Feruloyl putrescine
C14H20N2O3
PubChem: 5281796
ChemSpider: 4445108
Challenge3 Acetyl-Gln-Leu-amide
C13H24N4O4
PubChem: 23275745
ChemSpider: 10441833
Challenge4 Dihydrochalcone
C15H14O
PubChem: 64802
ChemSpider: 58334
Challenge5 Isoprothiolane
C12H18O4S2
PubChem: 39681
ChemSpider: 36283
Challenge6 Phosphatidyl-6-acetyl-glucose (18:0/20:0)
C49H93O14P
PubChem: 70698918
ChemSpider: NA
Challenge7 cinnamtannin A3
C75H62O30
PubChem: 16129741
ChemSpider: 10272880
Challenge8 Prodelphinidin C2
C45H38O20
PubChem: 71623698
ChemSpider: NA
Challenge9 Chlorpyrifos
C9H11Cl3NO3PS
PubChem: 2730
ChemSpider: 2629
Challenge10 VAL-HIS-LEU-THR-PRO-VAL-GLU-LYS
C42H71N11O12
PubChem: 14818845
ChemSpider: 11455640
Challenge11 Demethoxycurcumin
C20H18O5
PubChem: 5324476
ChemSpider: 4482000
Challenge11(tautomer1) Demethoxycurcumin
C20H18O5
PubChem: 5469424
ChemSpider: NA
Challenge11(tautomer2) Demethoxycurcumin
C20H18O5
PubChem: NA
ChemSpider: 24534768
Challenge12 Baicalein
C15H10O5
PubChem: 5281605
ChemSpider: 4444924
Challenge13 EST; Aloxistatin
C17H30N2O5
PubChem: 65663
ChemSpider: 59098
Challenge14 Tetrahydroalstonine
C21H24N2O3
PubChem: 72340
ChemSpider: 65280
Challenge15 2-(Perfluorooctyl)ethanol
C10H5F17O
PubChem: 69619
ChemSpider: 62822
Challenge16 Ofloxacin
C18H20FN3O4
PubChem: 4583
ChemSpider: 4422
The information is also available as CSV for download