| Number |
qtl-m0037 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
221.1 |
| Product ions(Q3) |
158.2 |
| Main fragments |
158.2, 175.3, 130.1, 104.0 |
| Compound |
Jasminine |
| Identification |
putative |
| class |
Terpene |
| Organism |
|
| Reference |
Harborne et. al (1999) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:6083 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
19634-30-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Jasminine;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C11H12N2O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C11H12N2O3/c1-6-8-4-12-5-9(11(15)16-2)7(8)3-10(14)13-6/h4-6H,3H2,1-2H3,(H,13,14)/t6-/m0/s1;; |
| InChIKey |
KSMITTDZTTZFML-LURJTMIESA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C09985 |
| 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 |
223440073;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COC(=O)c1cncc2[C@H](C)NC(=O)Cc12;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Jasminine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
