Dataset

2-Naphthalenesulfonic acid; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU230060 contains the MS2 mass spectrum of 2-Naphthalenesulfonic acid with the InChIkey KVBGVZZKJNLNJU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
SMILES OS(=O)(=O)C1=CC=C2C=CC=CC2=C1
InChI Key KVBGVZZKJNLNJU-UHFFFAOYSA-N
Molecular Formula C10H8O3S
Exact Mass 208.019 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-Athens_Univ-AU230060
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • naphthalene-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-6230732789 Mcule
    44229 ChEBI
    CB8118079 ChemicalBook
    104615 Brenda
    127468 Brenda
    8420 PubChem
    PD004600 ProbesDrugs
    14773250 PubChem: Thomson Pharma
    120-18-3 ACToR
    SCHEMBL1556 SureChEMBL
    O9S4K2S25E FDA SRS
    491754 eMolecules
    NAS PDBe
    CHEMBL1234624 ChEMBL
    DB08254 DrugBank
    C16202 KEGG Ligand
    166095 Brenda
    J5.321J Nikkaji
    HMDB0255446 Human Metabolome Database
    ZINC000001554037 ZINC
    DTXSID5044788 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.