Dataset

2-Naphthalenesulfonic acid; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA065354 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(C1=CC2=C(C=CC=C2)C=C1)(=O)=O
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-Eawag-EA065354
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MetadataPublished 2014-01-14
Related Molecule
  • naphthalene-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08254 drugbank
    NAS rcsb_pdb
    CHEMBL1234624 chembl
    1556 surechembl
    29357423 surechembl
    29857297 surechembl
    8420 pubchem
    O9S4K2S25E fdasrs
    NAS pdbe
    PD004600 probes_and_drugs
    104615 brenda
    127468 brenda
    166095 brenda
    CHEBI:44229 chebi
    HMDB0255446 hmdb
    DTXSID5044788 comptox
    Molport-000-146-053 molport
    The data in this table is sourced from UniChem at EBI.