| SpectraBase Spectrum ID |
LH1N2TjJRxy |
| Name |
Epinephrine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
51028-73-0; 51-43-4 |
| ChEBI ID |
28918 |
| Comments |
Saturated (-)-Epinephrine - Sigma-Aldrich
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 |
C9 H13 N O3 |
| IUPAC Name |
4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]pyrocatechol; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
| InChI |
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 |
| InChIKey |
UCTWMZQNUQWSLP-VIFPVBQESA-N |
| KEGG Compound ID |
C00788 |
| PubChem Compound ID |
5816 |
| SMILES |
CNCC(C1=CC(=C(C=C1)O)O)O; CNC[C@@H](C1=CC(=C(C=C1)O)O)O |
| Source File Reference |
bmse000316 |
