| Number |
qtl-m0007 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
protonated |
| Ret. Time(min) |
|
| Precursor ions(Q1) |
146.1 |
| Product ions(Q3) |
87.1 |
| Main fragments |
87.1, 60.2 |
| Compound |
gamma-Butyrobetaine |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
Baser et. al (2006) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:1941 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1765273;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
407-64-7;;10329-41-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
4-(trimethylammonio)butanoic acid;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A quaternary ammonium ion that is the conjugate acid of 4-(trimethylammonio)butanoate.;; |
| DrugBank Database Links |
|
| Formulae |
C7H16NO2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-carboxy-N,N,N-trimethylpropan-1-aminium;; |
| InChI |
InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1;; |
| InChIKey |
JHPNVNIEXXLNTR-UHFFFAOYSA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C01181 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
146.20748;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
NM2;; |
| Patent Database Links |
|
| PubChem Database Links |
46530629;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
6773946;;3311009;;2007906;;15164354;;12729644;;10491993;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
6991;;6990;;3102;;2337;;10202;; |
| SMILES |
C[N+](C)(C)CCCC(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium;;gamma-butyrobetaine;;gamma-Butyrobetaine;;Deoxycarnitine;;Butyrobetaine;;Actinine;;4-Trimethylammoniobutanoate;;4-Butyrobetaine;;4-(N-Trimethylamino)butyrate;;3-carboxypropyl(trimethyl)azanium;;3-carbox |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9QZU7;;Q9JLJ3;;Q9JLJ2;;Q98KK0;;Q924Y0;;Q5R8A4;;Q5R5D8;;Q2KJH9;;Q29228;;Q19000;;P80193;;P49189;;O75936;; |
| ChEBI Image |
 |
| |
|
