| Number |
mr1268 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
314.1384 |
| Exact mass(Da) |
314.1387 |
| Accurate mass error(ppm) |
0.91 |
| Molecular formula |
C18H19NO4 |
| Ionization model |
|
| Ret. Time(min) |
5.05 |
| Precursor ions(Q1) |
314.1384 |
| Product ions(Q3) |
177.2 |
| Main fragments |
177.2, 145.2, 121.2, 91.0 |
| Compound |
N-Feruloyltyramine |
| Identification |
putative |
| class |
Ployphenol |
| Organism |
Oryza sativa |
| Reference |
Jang et. al (2004) |
| CV(%) |
104.94 |
| H2 |
0.31 |
| ChEBI_ID |
CHEBI:17818 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
66648-43-9;;65646-26-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
N-feruloyltyramine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C18H19NO4;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide;; |
| InChI |
InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+;; |
| InChIKey |
NPNNKDMSXVRADT-WEVVVXLNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.3.1.110;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
04 Aug 2015;; |
| Mass |
313.34780;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8143993;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
21542597;;21158422;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:19685;; |
| SABIO-RK Database Links |
|
| SMILES |
COc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1O;; |
| Secondary ChEBI ID |
CHEBI:21701;;CHEBI:7272;;CHEBI:12500;; |
| Star |
3;; |
| Synonyms |
trans-N-feruloyltyramine;;trans-N-Feruloyltyramine;;Moupinamide;;(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9SMB8;;P80969;; |
| ChEBI Image |
 |
| |
|
