| Number |
qtl-m1107 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
147 |
| Product ions(Q3) |
88 |
| Main fragments |
|
| Compound |
Carbachol |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:3385 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
3917459;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
51-83-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
carbachol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
DB00411;; |
| Formulae |
C6H15N2O2.Cl;;C6H15ClN2O2;; |
| Gmelin Registry Numbers |
|
| INN |
carbacol;;carbacholum;;carbachol;; |
| IUPAC Names |
2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride;; |
| InChI |
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H;; |
| InChIKey |
AIXAANGOTKPUOY-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00524 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
182.64900;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007128884;;US2007238762;;US2007231390;;US2007213399;;US2005239863;;US2002045579;;US1894162;;EP1829528;;EP1829527;;EP1815846;;EP1772767;;EP1671624;;EP1611879;;EP1611877;;DE539329;; |
| PubChem Database Links |
56464137;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9622546;;8246221;;2362286;;2258905;;18182302;;18077164;;1732546;;17084634;;16884293;;10354408;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
[Cl-].C[N+](C)(C)CCOC(N)=O;; |
| Secondary ChEBI ID |
CHEBI:41364;; |
| Star |
3;; |
| Synonyms |
carbachol;;MIOSTAT;;Karbamoylcholin chlorid;;Karbachol;;Choline chlorine carbamate;;Choline chloride, carbamate;;Choline carbamate chloride;;Carbachol chloride;;CARBASTAT;;CARBACHOL;;2-(carbamoyloxy)-N,N,N-trimethylethanaminium;;2-((Aminocarbonyl)oxy)-N,N |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q86BW9;;Q7ZZN8;;Q7T1K6;;Q70WS8;;P86525;;P86524;;P86523;;P59853;;P56569;;P15818;;P0DJB0;; |
| ChEBI Image |
 |
| |
|
