Dataset

2-Benzothiazolsulfonic acid

This MassBank record with Accession MSBNK-UFZ-UF420952 contains the MS2 mass spectrum of 2-Benzothiazolsulfonic acid with the InChIkey ZCXGMSGCBDSEOY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
SMILES O=S(=O)(O)c1nc2ccccc2s1
InChI Key ZCXGMSGCBDSEOY-UHFFFAOYSA-N
Molecular Formula C7H5NO3S2
Exact Mass 214.971 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF420952
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:00:07.126344
MetadataModified 2025-02-09T19:47:01.753892
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
858084 eMolecules
941-57-1 ACToR
SCHEMBL329578 SureChEMBL
CHEMBL4787785 ChEMBL
190965 ChEBI
30647 PubChem
168477882 PubChem
ZINC000001845473 ZINC
DTXSID80240528 EPA CompTox Dashboard
J323.207G Nikkaji
CB41283899 ChemicalBook
The data in this table is sourced from UniChem at EBI.