Dataset

2,7-Naphthalenedisulfonic acid; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA065461 contains the MS2 mass spectrum of 2,7-Naphthalenedisulfonic acid with the InChIkey VILFVXYKHXVYAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)
SMILES O=S(O)(C1=CC(C=C(C=C2)S(=O)(O)=O)=C2C=C1)=O
InChI Key VILFVXYKHXVYAB-UHFFFAOYSA-N
Molecular Formula C10H8O6S2
Exact Mass 287.976 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-EA065461
Version
Author
Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • naphthalene-2,7-disulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30898 chebi
    29381755 surechembl
    822307 surechembl
    66707 pubchem
    01HGS7J21J fdasrs
    DTXSID3059054 comptox
    The data in this table is sourced from UniChem at EBI.