| Number |
qtl-m0233 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
306.1686 |
| Exact mass(Da) |
306.1686 |
| Accurate mass error(ppm) |
0.67 |
| Molecular formula |
C15H21O3N4 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
307.1 |
| Product ions(Q3) |
177.1 |
| Main fragments |
177.1, 272.2, 247.0, 187.1, 175.1, 145.2 |
| Compound |
Feruloyl agmatine |
| Identification |
putative |
| class |
Polyamine |
| Organism |
|
| Reference |
Moheb A et. al (2011) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:75544 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
feruloylagmatine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine.;; |
| DrugBank Database Links |
|
| Formulae |
C15H22N4O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;; |
| InChI |
InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+;; |
| InChIKey |
UBMDAKWARMURDL-FNORWQNLSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C18325 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
18 Jun 2015;; |
| Mass |
306.36020;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
170474176;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
19521717;;18649321;;18270436;;10993146;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1cc(\C=C\C(=O)NCCCCNC(N)=N)ccc1O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
N1-trans-Feruloylagmatine;;1-(trans-4'-hydroxy-3'-methoxycinnamoylamino)-4-guanidinobutane;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
