| Number |
mr1277 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
153.1272 |
| Exact mass(Da) |
153.1274 |
| Accurate mass error(ppm) |
1.26 |
| Molecular formula |
C10H16O |
| Ionization model |
|
| Ret. Time(min) |
6.92 |
| Precursor ions(Q1) |
153.1272 |
| Product ions(Q3) |
81.1 |
| Main fragments |
81.1, 135.1, 107.1, 93.1 |
| Compound |
(-)-trans-Carveol |
| Identification |
putative |
| class |
Others |
| Organism |
Cistus creticus |
| Reference |
Paolini et. al (2009) |
| CV(%) |
140.55 |
| H2 |
0.74 |
| ChEBI_ID |
CHEBI:15388 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
2206717;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
(+)-trans-carveol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C10H16O;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(1R,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol;; |
| InChI |
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1;; |
| InChIKey |
BAVONGHXFVOKBV-VHSXEESVSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.14.13.80;;EC 1.1.1.275;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
01 Feb 2012;; |
| Mass |
152.23344;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8145816;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:18957;;RHEA:14825;; |
| SABIO-RK Database Links |
|
| SMILES |
CC(=C)[C@H]1CC=C(C)[C@H](O)C1;; |
| Secondary ChEBI ID |
CHEBI:10753;;CHEBI:59;; |
| Star |
3;; |
| Synonyms |
(1R,5S)-carveol;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
P33261;;P11712;; |
| ChEBI Image |
 |
| |
|
