Acetyl-β-methylcholine

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Systematic / IUPAC Name: 2-Acetoxy-N,N,N-trimethyl-1-propanaminium

ID: Reference1759

Other Names: Acetylmethylcholine;
β-Methylacetylcholine;
Choline, acetyl-β-methyl-;
1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-;
Methacholine ; more

Formula: C8H18NO2 +

Class: Therapeutics/Prescription Drugs

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:01:32 PM
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Identificators

InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
InChI Key NZWOPGCLSHLLPA-UHFFFAOYSA-N
Canonical SMILES CC(C[N+](C)(C)C)OC(=O)C
CAS 55925
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Other Names Acetylmethylcholine;
β-Methylacetylcholine;
Choline, acetyl-β-methyl-;
1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-;
Methacholine;
Methacholin;
Mecholin;
Mecholine

In Other Databases

ChEMBL CHEMBL978
KEGG C07471
ChemIDPlus 000055925; 000625194
ChEBI CHEBI:6804
ChemSpider 1916
PubChem 1993