| Number |
qtl-m1093 |
| 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) |
137.3 |
| Product ions(Q3) |
94.2 |
| Main fragments |
|
| Compound |
1-Methylnicotinamide |
| Identification |
putative |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16797 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
3106-60-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
1-methylnicotinamide;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A pyridinium ion comprising nicotinamide having a methyl group at the 1-position.;; |
| DrugBank Database Links |
|
| Formulae |
C7H9N2O;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-carbamoyl-1-methylpyridinium;; |
| InChI |
InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1;; |
| InChIKey |
LDHMAVIPBRSVRG-UHFFFAOYSA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.1.1.1;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
137.15920;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2007259861;; |
| PubChem Database Links |
8143645;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
6448542;;6215856;;22932811;;22770225;;17641676;;16197374;;145178;;12829005;;11952169;;11199218;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-561054;;R-HSA-549322;;R-HSA-549279;;R-HSA-549129;;R-HSA-2309773;; |
| Rhea Database Links |
RHEA:23884;; |
| SABIO-RK Database Links |
9553;;3815;; |
| SMILES |
C[n+]1cccc(c1)C(N)=O;; |
| Secondary ChEBI ID |
CHEBI:11267;;CHEBI:18635;;CHEBI:646;; |
| Star |
3;; |
| Synonyms |
Trigonellinamide;;N1-Methylnicotinamide;;N-Methyl-3-carbamoylpyridinium ion;;N-Methyl-3-carbamidopyridinium;;N-1-Methylnicotinamide;;N(1)-Methylnicotinamide;;N'Methylnicotinamide;;N'-Methylnicotinamide;;I-Methyl nicotinamide;;3-carbamoyl-1-methylpyridin-1 |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9UT28;;Q7S634;;Q74ZB5;;Q6FJ22;;Q6CUI0;;Q6CHE9;;Q6BKI8;;Q5BAD0;;Q5A013;;Q4WYS7;;Q4I2X5;;Q06AV1;;Q05874;;P40261;;P0CP45;;P0CP44;;O55239;; |
| ChEBI Image |
 |
| |
|
