| SpectraBase Spectrum ID |
4KrF599446F |
| Name |
Methyl 4-aminobutyrate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
13031-60-2
3251-07-8 |
| Comments |
100 mM Methyl 4-aminobutyrate hydrochloride - vendor: Fluka 16502; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C5H11NO2 |
| IUPAC Name |
4-aminobutanoic acid methyl ester |
| InChI |
InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3 |
| InChIKey |
KVQGGLZHHFGHPU-UHFFFAOYSA-N |
| PubChem Compound ID |
18614 |
| SMILES |
COC(=O)CCCN |
| Source File Reference |
bmse000249 |
