Choline

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

ID: Reference886

Other Names: (2-Hydroxyethyl)trimethylammonium;
Trimethylethanolamine;
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-;
N-Trimethylethanolamine;
(2-Hydroxyethyl)trimethylazanium ; more

Formula: C5H14NO+

Class: Endogenous Metabolites

Spectral Data

Choline 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/24/2015 1:01:53 PM
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Identificators

InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChI Key OEYIOHPDSNJKLS-UHFFFAOYSA-N
Canonical SMILES C[N+](C)(C)CCO
CAS 62497
Splash
Other Names (2-Hydroxyethyl)trimethylammonium;
Trimethylethanolamine;
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-;
N-Trimethylethanolamine;
(2-Hydroxyethyl)trimethylazanium;
(β-Hydroxyethyl)trimethylammonium;
N,N,N-Trimethylethanolammonium;
Bilineurine;
Hepacholine

In Other Databases

Wikipedia Choline
KEGG C00114; D00810; D02017
ChEBI CHEBI:15354
HMDb HMDB00097
ChEMBL CHEMBL920
PubChem 305
ChemSpider 299
ChemIDPlus 000062497; 000067481; 000078739; 000087672; 000507302; 000546634; 002016366; 001336807; 004499405; 000123411