p-Cresol sulfate
14074
Reference
p-Cresol sulfate Structure
Systematic / IUPAC Name: (4-Methylphenyl) hydrogen sulfate
ID: Reference14074
Other Names: AA-2728
Formula: C7H8O4S
Class: Endogenous Metabolites Natural Toxins
Spectral Data
p-Cresol sulfate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 209 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/2/2026 4:25:40 PM |
Identificators
| InChI | InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChI Key | WGNAKZGUSRVWRH-UHFFFAOYSA-N |
| Canonical SMILES | Cc1ccc(OS(=O)(=O)O)cc1 |
| CAS | |
| Splash | |
| Other Names | AA-2728 |
In Other Databases
| ChEBI | CHEBI:82914 |
| HMDb | HMDB0011635; HMDB0011635; HMDB0011635; HMDB0011635; HMDB0059933 |
| ChEMBL | CHEMBL4551850 |
| ChemSpider | 3806481 |
| PubChem | 4615423 |