| SpectraBase Spectrum ID |
4ncbZKRKwqf |
| Name |
Ethanesulfonic acid |
| Acquisition Mode |
SIMULTANEOUS |
| Comments |
100 mM ETHANESULFONIC ACID - Aldrich 47,390-1
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C2 H7 Na O4 S |
| IUPAC Name |
sodium ethanesulfonate hydrate |
| InChI |
InChI=1S/C2H6O3S.Na.H2O/c1-2-6(3,4)5;;/h2H2,1H3,(H,3,4,5);;1H2/q;+1;/p-1 |
| InChIKey |
ZWDIDBOOWLDXON-UHFFFAOYSA-M |
| PubChem Compound ID |
16211027 |
| SMILES |
CCS(=O)(=O)[O-].O.[Na+] |
| Source File Reference |
bmse000400 |
