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.
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 |