| SpectraBase Spectrum ID |
3FdigCJf6Tp |
| Name |
HEPES |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
7365-45-9
75277-39-3 |
| Comments |
100 mM Hepes - vendor: ?; 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 |
C8H18N2O4S |
| IUPAC Name |
2-[4-(2-hydroxyethyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanesulfonate |
| InChI |
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) |
| InChIKey |
JKMHFZQWWAIEOD-UHFFFAOYSA-N |
| PubChem Compound ID |
23830 |
| SMILES |
C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-] |
| Source File Reference |
bmse000202 |
