| Number |
qtl-m0983 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
197.1534 |
| Exact mass(Da) |
197.1536 |
| Accurate mass error(ppm) |
1.05 |
| Molecular formula |
C12H20O2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
197 |
| Product ions(Q3) |
137.2 |
| Main fragments |
137.2, 91.1 |
| Compound |
Geranyl acetate |
| Identification |
putative |
| class |
Fatty acid |
| Organism |
|
| Reference |
Omolo et. al (2004) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:5331 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
105-87-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
geranyl acetate;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A monoterpenoid that is the acetate ester derivative of geraniol.;; |
| DrugBank Database Links |
|
| Formulae |
C12H20O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate;; |
| InChI |
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+;; |
| InChIKey |
HIGQPQRQIQDZMP-DHZHZOJOSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C09861 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
01 Sep 2015;; |
| Mass |
196.28600;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223439811;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
25698327;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CC(C)=CCC\C(C)=C\COC(C)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
trans-3,7-dimethyl-2,6-octadien-1-yl acetate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
