| SpectraBase Spectrum ID |
Jn2CC05s7ig |
| Name |
Betaine aldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
7418-61-3 |
| ChEBI ID |
15710 |
| Comments |
100 mM Betaine_aldehyde_chloride - vendor: Sigma B3650; 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 |
C5H12NO+ |
| IUPAC Name |
trimethyl-(2-oxoethyl)azanium; trimethyl-(2-oxoethyl)ammonium |
| InChI |
InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1 |
| InChIKey |
SXKNCCSPZDCRFD-UHFFFAOYSA-N |
| KEGG Compound ID |
C00576 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism |
| PubChem Compound ID |
249 |
| SMILES |
C[N+](C)(C)CC=O |
| Source File Reference |
bmse000070 |
