| SpectraBase Spectrum ID |
beaIkLOEIN |
| Name |
Purine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
120-73-0 |
| ChEBI ID |
17258 |
| Comments |
100 mM purine - 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 |
C5 H4 N4 |
| IUPAC Name |
7H-purine |
| InChI |
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) |
| InChIKey |
KDCGOANMDULRCW-UHFFFAOYSA-N |
| PubChem Compound ID |
1044 |
| SMILES |
C1=C2C(=NC=N1)N=CN2 |
| Source File Reference |
bmse000454 |
