| Number |
qtl-m1272 |
| 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) |
244.1 |
| Product ions(Q3) |
143 |
| Main fragments |
|
| Compound |
Lumichrome |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17781 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
226631;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
1086-80-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
lumichrome;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.;; |
| DrugBank Database Links |
DB04345;; |
| Formulae |
C12H10N4O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione;; |
| InChI |
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18);; |
| InChIKey |
ZJTJUVIJVLLGSP-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.5.99.1;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
242.23356;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8144009;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
24451190;;24001807;;22953948;;21126007;;15819908;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:11408;; |
| SABIO-RK Database Links |
|
| SMILES |
Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C;; |
| Secondary ChEBI ID |
CHEBI:25080;;CHEBI:14534;;CHEBI:6561;;CHEBI:43772;; |
| Star |
3;; |
| Synonyms |
lumichrome;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9SLM6;;P46422;; |
| ChEBI Image |
 |
| |
|
