Dataset

4-Hydroxybenzenesulfonic acid

This MassBank record with Accession MSBNK-Athens_Univ-AU406852 contains the MS2 mass spectrum of 4-Hydroxybenzenesulfonic acid with the InChIkey FEPBITJSIHRMRT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
SMILES c1cc(ccc1O)S(=O)(=O)O
InChI Key FEPBITJSIHRMRT-UHFFFAOYSA-N
Molecular Formula C6H6O4S
Exact Mass 173.999 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU406852
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:59:28.375873
MetadataModified 2025-02-08T19:01:11.051050
MetadataPublished 2015-12-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9642506548 Mcule
CB6442408 ChemicalBook
485129 eMolecules
4765 PubChem
PD014704 ProbesDrugs
L74LRO149A FDA SRS
15219557 PubChem: Thomson Pharma
SCHEMBL18275 SureChEMBL
28469-73-0 ACToR
98-67-9 ACToR
C12849 KEGG Ligand
32354 ChEBI
CHEMBL1398657 ChEMBL
DB14739 DrugBank
DTXSID1046421 EPA CompTox Dashboard
PHENOLSULFONIC ACID rxnorm
ZINC000001577054 ZINC
J4.956E Nikkaji
The data in this table is sourced from UniChem at EBI.