| Number |
qtl-m0155 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
265.1547 |
| Exact mass(Da) |
265.1547 |
| Accurate mass error(ppm) |
0.12 |
| Molecular formula |
C14H20O3N2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
265.1 |
| Product ions(Q3) |
177.1 |
| Main fragments |
177.1, 248.2, 145.1, 117.1, 89.1, 72.2 |
| Compound |
Feruloyl putrescine |
| Identification |
putative |
| class |
Polyamine |
| Organism |
|
| Reference |
Yamamoto Y et. al (1998) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:9299 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
501-13-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Subaphyllin;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C14H20N2O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+;; |
| InChIKey |
SFUVCMKSYKHYLD-FNORWQNLSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10497 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
|
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223441386;; |
| 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)NCCCCN)ccc1O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Subaphyllin;;Feruloylputrescine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
