| Number |
qtl-m0065 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
193.0859 |
| Exact mass(Da) |
193.0859 |
| Accurate mass error(ppm) |
0.11 |
| Molecular formula |
C11H12O3 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
193.2 |
| Product ions(Q3) |
119.1 |
| Main fragments |
119.1, 175.2, 105.2, 91.1, 77.2 |
| Compound |
Carpacin |
| Identification |
putative |
| class |
Phenylpropanoids |
| Organism |
|
| Reference |
Taylor and Francis et. al (1999) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:3432 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
23953-63-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Carpacin;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C11H12O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3-6H,7H2,1-2H3/b4-3+;; |
| InChIKey |
OTRFVHWXENKCEG-ONEGZZNKSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10435 |
| 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 |
223439240;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1cc2OCOc2cc1\C=C\C;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Carpacin;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
