N-Acetyl-β-alanine

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Systematic / IUPAC Name: 3-Acetamidopropanoic acid

ID: Reference14005

Other Names: Ac-β-Ala-OH;
AA-2757

Formula: C5H9NO3

Class: Endogenous Metabolites

Spectral Data

N-Acetyl-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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 165
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/22/2026 11:08:14 AM
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Identificators

InChI InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChI Key LJLLAWRMBZNPMO-UHFFFAOYSA-N
Canonical SMILES CC(=O)NCCC(=O)O
CAS
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Other Names Ac-β-Ala-OH;
AA-2757

In Other Databases

HMDb HMDB0061880; HMDB0061880
PubChem 76406; 76406
ChEBI CHEBI:16682
ChemSpider 68881
KEGG C01073