Dataset

3-Nitrobenzenesulfonic acid

This MassBank record with Accession MSBNK-Athens_Univ-AU406751 contains the MS2 mass spectrum of 3-Nitrobenzenesulfonic acid with the InChIkey ONMOULMPIIOVTQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
SMILES c1cc(cc(c1)S(=O)(=O)O)[N+](=O)[O-]
InChI Key ONMOULMPIIOVTQ-UHFFFAOYSA-N
Molecular Formula C6H5NO5S
Exact Mass 202.989 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-AU406751
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:08:34.703951
MetadataModified 2025-02-08T19:13:40.804088
MetadataPublished 2015-12-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL33350 SureChEMBL
98-47-5 ACToR
969439 eMolecules
14748730 PubChem: Thomson Pharma
CHEMBL3306825 ChEMBL
ZINC000001700193 ZINC
DTXSID3048079 EPA CompTox Dashboard
7387 PubChem
The data in this table is sourced from UniChem at EBI.