| SpectraBase Spectrum ID |
GgLBSe8cxBZ |
| Name |
Butanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
5593-70-4; 14254-05-8; 71-36-3 |
| ChEBI ID |
28885 |
| Comments |
100 mM butanol - 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 |
C4 H10 O |
| IUPAC Name |
butan-1-ol |
| InChI |
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey |
LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| KEGG Compound ID |
C06142 |
| KEGG Pathways |
PATH: ko00650 Butanoate metabolism |
| PubChem Compound ID |
263 |
| SMILES |
CCCCO |
| Source File Reference |
bmse000447 |
