Acetylcholine

enlarge

Systematic / IUPAC Name: 2-Acetoxy-N,N,N-trimethylethanaminium

ID: Reference885

Other Names: Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-;
(2-Acetoxyethyl)trimethylammonium;
2-(Acetyloxy)-N,N,N-trimethylethanaminium;
2-Acetyloxyethyl-trimethylazanium;
2-Acetyloxy-N,N,N-trimethylethanaminium ; more

Formula: C7H16NO2 +

Class: Endogenous Metabolites

Spectral Data

Acetylcholine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 122
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/24/2015 11:07:49 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChI Key OIPILFWXSMYKGL-UHFFFAOYSA-N
Canonical SMILES CC(=O)OCC[N+](C)(C)C
CAS 51843
Splash
Other Names Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-;
(2-Acetoxyethyl)trimethylammonium;
2-(Acetyloxy)-N,N,N-trimethylethanaminium;
2-Acetyloxyethyl-trimethylazanium;
2-Acetyloxy-N,N,N-trimethylethanaminium;
Choline acetate;
O-Acetylcholine

In Other Databases

HMDb HMDB00895
KEGG C01996; C08201; D00999
Wikipedia Acetylcholine
ChemSpider 182
PubChem 187
ChEMBL CHEMBL667
ChemIDPlus 000051843; 000060311; 000066239; 002260506; 000927866; 005450588
ChEBI CHEBI:15355