| Number |
mr1270 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
353.1509 |
| Exact mass(Da) |
353.1496 |
| Accurate mass error(ppm) |
3.74 |
| Molecular formula |
C20H20N2O4 |
| Ionization model |
|
| Ret. Time(min) |
6.03 |
| Precursor ions(Q1) |
353.1509 |
| Product ions(Q3) |
177.2 |
| Main fragments |
177.2, 317.2, 145.2, 117.1, 89.2 |
| Compound |
N-Feruloylserotonin |
| Identification |
putative |
| class |
Ployphenol |
| Organism |
Oryza sativa |
| Reference |
Jang et. al (2004) |
| CV(%) |
47.47 |
| H2 |
0.67 |
| ChEBI_ID |
CHEBI:85158 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
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| ChEBI Name |
N-feruloylserotonin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| Definition |
A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin.;; |
| DrugBank Database Links |
|
| Formulae |
C20H20N2O4;; |
| Gmelin Registry Numbers |
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| INN |
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| IUPAC Names |
(2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;; |
| InChI |
InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+;; |
| InChIKey |
WGHKJYWENWLOMY-XVNBXDOJSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
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| Last Modified |
05 Jan 2016;; |
| Mass |
352.38380;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
249807120;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Moschamine;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
 |
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