| Number |
qtl-m2094 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
565 |
| Product ions(Q3) |
283 |
| Main fragments |
|
| Compound |
canthaxanthin |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:3362 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1898520;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
514-78-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
canthaxanthin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'.;; |
| DrugBank Database Links |
|
| Formulae |
C40H52O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
beta,beta-carotene-4,4'-dione;; |
| InChI |
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+;; |
| InChIKey |
FDSDTBUPSURDBL-DKLMTRRASA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C08583 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPR01070264;; |
| Last Modified |
23 Oct 2015;; |
| Mass |
564.83968;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
135668164;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9356530;;8895059;;4096526;;3930305;;24097248;;22455145;;22451081;;22428120;;22418926;;22366116;;22353211;;22334741;;2117075;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
beta,beta-Carotene-4,4'-dione;;all-trans-beta-carotene-4,4'-dione;;Roxanthin Red 10;;Orobronze;;L-Orange 7;;Food Orange 8;;E 161g;;Carophyll Red;;Canthaxanthine;;Canthaxanthin;;Cantaxanthine;;Cantaxanthin;;All-trans,beta-Carotene-4,4'-dione;;4,4'-dioxo-be |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9SPK6;;Q44261;;Q39982;;P54972;; |
| ChEBI Image |
 |
| |
|
