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Detail Information

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
ArrayExpress Database Links
BRAND Names
Beilstein Registry Numbers
BioModels Database Links
CAS Registry Numbers
COMe Database Links
ChEBI ID
ChEBI Name N-feruloylserotonin;;
Charge 0;;
Chinese Abstracts Citation Links
CiteXplore Citation Links
Definition A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin.;;
DrugBank Database Links
Formulae C20H20N2O4;;
Gmelin Registry Numbers
INN
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
IntEnz Database Links
KEGG COMPOUND Database Links
KEGG DRUG Database Links
KEGG GLYCAN Database Links
LIPID MAPS class Database Links
LIPID MAPS instance Database Links
Last Modified 05 Jan 2016;;
Mass 352.38380;;
MolBase Database Links
PDBeChem Database Links
Patent Database Links
PubChem Database Links 249807120;;
PubMed Central Citation Links
PubMed Citation Links
RESID Database Links
Reactome Database Links
Rhea Database Links
SABIO-RK Database Links
SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O;;
Secondary ChEBI ID
Star 3;;
Synonyms Moschamine;;
UM-BBD compID Database Links
UniProt Database Links
ChEBI Image