β-Alanine methyl ester
13728
Reference
β-Alanine methyl ester Structure
Systematic / IUPAC Name:
Methyl 3-aminopropanoate
ID: Reference13728
Other Names:
AA-3554;
Methyl β-alaninate
Formula: C4H9NO2
Class: Endogenous Metabolites
Spectral Data
β-Alanine methyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 105 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/14/2026 5:15:31 PM |
Identificators
| InChI | InChI=1S/C4H9NO2/c1-7-4(6)2-3-5/h2-3,5H2,1H3 |
| InChI Key | UZCXPYDBYUEZCV-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)CCN |
| CAS | |
| Splash | |
| Other Names |
AA-3554; Methyl β-alaninate |