Dataset

1-naphthalenesulfonate; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU075553 contains the MS2 mass spectrum of 1-naphthalenesulfonate with the InChIkey PSZYNBSKGUBXEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
SMILES OS(=O)(=O)C1=CC=CC2=C1C=CC=C2
InChI Key PSZYNBSKGUBXEH-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-LCSB-LU075553
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MetadataPublished 2020-08-19
Related Molecule
  • naphthalene-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30895 chebi
    CHEMBL1160029 chembl
    29358913 surechembl
    30304762 surechembl
    4323 surechembl
    6812 pubchem
    0SJH61WM2J fdasrs
    92890 brenda
    HMDB0243955 hmdb
    DTXSID7048033 comptox
    Molport-003-927-374 molport
    The data in this table is sourced from UniChem at EBI.