β-Alanine

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Systematic / IUPAC Name: 3-Aminopropanoic acid

ID: Reference599

Other Names: 3-Aminopropionic acid;
β-Aminopropionic acid;
Propanoic acid, 3-amino-;
β-Aminopropanoic acid;
Abufene ; more

Formula: C3H7NO2

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

β-Alanine 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; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 198
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/21/2017 8:19:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChI Key UCMIRNVEIXFBKS-UHFFFAOYSA-N
Canonical SMILES C(CN)C(=O)O
CAS 107959
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Other Names 3-Aminopropionic acid;
β-Aminopropionic acid;
Propanoic acid, 3-amino-;
β-Aminopropanoic acid;
Abufene;
Alanine, β-;
β-Ala

In Other Databases

ChEBI CHEBI:16958; CHEBI:57966
HMDb HMDB00056
ChemSpider 234
PubChem 239
ChEMBL CHEMBL297569
KEGG C00099; D07561
Wikipedia Beta-alanine
ChemIDPlus 000107959; 028854764; 036321401; 016690930; 061791604