Betaine

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Systematic / IUPAC Name: Carboxy-N,N,N-trimethylmethanaminium

ID: Reference894

Other Names: Trimethylglycine;
Trimethylaminoacetic acid;
(Trimethylammonio)acetate;
Trimethylammonioacetate;
N,N,N-Trimethylglycine ; more

Formula: C5H12NO2 +

Class: Endogenous Metabolites

Spectral Data

Betaine 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 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/25/2015 10:40:36 AM
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Identificators

InChI InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI Key KWIUHFFTVRNATP-UHFFFAOYSA-N
Canonical SMILES C[N+](C)(C)CC(=O)[O-]
CAS 107437
Splash
Other Names Trimethylglycine;
Trimethylaminoacetic acid;
(Trimethylammonio)acetate;
Trimethylammonioacetate;
N,N,N-Trimethylglycine;
Trimethylaminoacetate;
Aminocoat;
2-(Trimethylazaniumyl)acetate;
N,N,N-Trimethylammonioacetate;
2-(Trimethylamino)acetic acid;
Oxyneurine;
Lycine;
Abromine;
Glycylbetaine;
α-Earleine;
Rubrine C;
Cystadane;
Jortaine;
Betafin;
Greenstim;
Finnstim;
Betafin BP

In Other Databases

Wikipedia Trimethylglycine
ChEMBL CHEMBL1182
KEGG C00719; D07523
PubChem 247
ChemSpider 242
ChEBI CHEBI:17750
HMDb HMDB00043