News

March 18th, 2015
The results and winners of CASMI-2014 are now up.

March 3rd, 2015
The solutions for CASMI-2014 are now available on the website.

January 15th, 2015
The CASMI 2014 Challenges submissions deadline has been extended to February 15th, 2015!

September 15th, 2014
The CASMI 2014 Challenges are now officially available !

September 2nd, 2014
All articles of the CASMI 2013 proceedings are now online.

April 30, 2014
First announcement at the Analytical Tools for Cutting-edge Metabolomics meeting.


Challenge Solutions
Challenge Compound Structure
Challenge1 LysoPE(18:1/0:0) [1_oleoyl_2_hydroxy_sn_glycero_3_phosphoethanolamine]
C23H46NO7P
PubChem: 9547071
ChemSpider: 7826021
Challenge2 Lipoamide
C8H15NOS2
PubChem: 863
ChemSpider: 840
Challenge3 2-hydroxyhippuric acid
C9H9NO4
PubChem: 10253
ChemSpider: 9835
Challenge4 3-nitrotyrosine
C9H10N2O5
PubChem: 65124
ChemSpider: 205676
Challenge5 5-hydroxytryptophan
C11H12N2O3
PubChem: 144
ChemSpider: 141
Challenge6 3,4-Dihydroxyphenylacetic Acid (DOPAC)
C8H8O4
PubChem: 547
ChemSpider: 532
Challenge7 Vitamin D3
C27H44O
PubChem: 5280795
ChemSpider: 4444353
Challenge8 Sucrose
C12H22O11
PubChem: 5988
ChemSpider: 5768
Challenge9 Gamma-Glutamylcysteinylglycine (reduced glutathione)
C10H17N3O6S
PubChem: 745
ChemSpider: 725
Challenge10 Adenosine-5-monophosphate
C10H14N5O7P
PubChem: 6083
ChemSpider: 5858
Challenge11 Theophylline
C7H8N4O2
PubChem: 2153
ChemSpider: 2068
Challenge12 N(6)-carboxymethyllysine
C8H16N2O4
PubChem: 123800
ChemSpider: 110350
Challenge13 Prostaglandin D2
C20H32O5
PubChem: 448457
ChemSpider: 395250
Challenge14 3-carboxysalsolinol
C11H13NO4
PubChem: 162692
ChemSpider: 142834
Challenge15 1,2,3,4-tetrahydroharmane-3-carboxylic acid
C13H14N2O2
PubChem: 73530
ChemSpider: 66213
Challenge16 N(2) Succinyl arginine
C10H18N4O5
PubChem: 439968
ChemSpider: 388993
Challenge17 Spirobrassinin
C11H10N2OS2 
PubChem: 188830
ChemSpider: 164095
Challenge18 Dipyrithione
C10H8N2O2S2
PubChem: 3109
ChemSpider: 2998
Challenge19 Senkirkine
C19H27NO6
PubChem: 6433332
ChemSpider: 10254880
Challenge20 Kanzonol W
C20H16O5 
PubChem: 15380912
ChemSpider: 24643673
Challenge21 Cepharatine A
C18H19NO4
PubChem: 51041521
ChemSpider: 26233553
Challenge22 Maackianin
C16H12O5 
PubChem: 363863
ChemSpider: 82631
Challenge23 Streptozocin
C8H15N3O7 
PubChem: 29327
ChemSpider: 27273
Challenge24 Gentamicin
C21H43N5O7 
PubChem: 3467
ChemSpider: 3348
Challenge25 Fusidic acid
C31H48O6
PubChem: 3000226
ChemSpider: 2271900
Challenge26 Paeoniflorin
C23H28O11
PubChem: 442534
ChemSpider: 390957
Challenge27 Andrographolide
C20H30O5
PubChem: 5318517
ChemSpider: 16735664
Challenge28 Isoxanthoflavan-3-ol
C21H22O6
PubChem: 14104288
ChemSpider: NA
Challenge29 Californidine
C20H20NO4+
PubChem: 45266443
ChemSpider: 28941458
Challenge30 2α, 3α-dihydroxyurs-12-en-28-oic acid (corosolic acid)
C30H48O4
PubChem: 21363056
ChemSpider: 9830556
Challenge31 peonidin
C16H13O6+
PubChem: 441773
ChemSpider: 390370
Challenge32 Ibuprofen
C13H18O2
PubChem: 3672
ChemSpider: 3544
Challenge33 Celecoxib
C17H14F3N3O2S
PubChem: 2662
ChemSpider: 2562
Challenge34 Erlotinib
C22H23N3O4
PubChem: 176870
ChemSpider: 154044
Challenge35 Hydroxy benzyl malonic acid
C10H10O5
PubChem: 17840182
ChemSpider: NA
Challenge36 Tris(cyanoethyl)phosphine oxide
C9H12N3OP
PubChem: 74039
ChemSpider: 66658
Challenge37 Melphalan
C13H18Cl2N2O2 
PubChem: 460612
ChemSpider: 405297
Challenge38 Nafoxidine
C29H31NO2 
PubChem: 4416
ChemSpider: 4263
Challenge39 Methiothepin
C20H24N2S2
PubChem: 4106
ChemSpider: 3963
Challenge40 Bisphenol A
C15H16O2
PubChem: 6623
ChemSpider: 6371
Challenge41 Brodifacoum
C31H23BrO3
PubChem: 54680676
ChemSpider: 10444663
Challenge42 Phenylbutazone
C19H20N2O2
PubChem: 4781
ChemSpider: 4617
Results for challenges 43-48 are not to be realised currently. If you would like to discuss the results for these challenges further then please contact Dr Dejan Nikolic (dnikol1(at)uic(dot)edu)

The information is also available as CSV for download