| Number |
qtl-m0059 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
188.2009 |
| Exact mass(Da) |
188.2009 |
| Accurate mass error(ppm) |
0.05 |
| Molecular formula |
C11H22O |
| Ionization model |
NH4+ |
| Ret. Time(min) |
|
| Precursor ions(Q1) |
188.2 |
| Product ions(Q3) |
76.1 |
| Main fragments |
76.1, 170.1, 109.1, 58.1 |
| Compound |
Undecanal |
| Identification |
putative |
| class |
Aldehydes |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:46202 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
112-44-7;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
undecanal;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata.;; |
| DrugBank Database Links |
|
| Formulae |
C11H22O;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
undecanal;; |
| InChI |
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3;; |
| InChIKey |
KMPQYAYAQWNLME-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMFA06000064;; |
| Last Modified |
23 Oct 2015;; |
| Mass |
170.29180;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
UNA;; |
| Patent Database Links |
|
| PubChem Database Links |
223442579;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
24421258;;23857364;;22797778;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CCCCCCCCCCC=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
undecyl aldehyde;;n-Undecanal;;Undecylic aldehyde;;Undecylaldehyde;;Undecanaldehyde;;N-Indecyl aldehyde;;Hendecanaldehyde;;Hendecanal;;FEMA 3092;;C11 aldehyde;;Aldehyde C-11;;1-Undecanal;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
