| SpectraBase Spectrum ID |
2qMSBCAPC4m |
| Name |
m-Cresol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
108-39-4 |
| ChEBI ID |
17231 |
| Comments |
100 mM m-Cresol - 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 |
C7H8O |
| IUPAC Name |
3-methylphenol |
| InChI |
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| InChIKey |
RLSSMJSEOOYNOY-UHFFFAOYSA-N |
| KEGG Compound ID |
C01467 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
342 |
| SMILES |
CC1=CC(=CC=C1)O |
| Source File Reference |
bmse000350 |
