Dataset

5-Aminonaphthalene-2-sulfonic acid; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU239002 contains the MS2 mass spectrum of 5-Aminonaphthalene-2-sulfonic acid with the InChIkey UWPJYQYRSWYIGZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
SMILES NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O
InChI Key UWPJYQYRSWYIGZ-UHFFFAOYSA-N
Molecular Formula C10H9NO3S
Exact Mass 223.030 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-AU239002
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • 5-aminonaphthalene-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08238 DrugBank
    CHEMBL1234578 ChEMBL
    N2M PDBe
    DTXSID6059497 EPA CompTox Dashboard
    ZINC000001680645 ZINC
    ZZZRQI CCDC
    J5.316C Nikkaji
    CB52129669 ChemicalBook
    44188 ChEBI
    8408 PubChem
    15939606 PubChem
    59G56TB11B FDA SRS
    119-79-9 ACToR
    51548-48-2 ACToR
    PD004615 ProbesDrugs
    15172209 PubChem: Thomson Pharma
    494724 eMolecules
    CB6228406 ChemicalBook
    MCULE-5753014053 Mcule
    SCHEMBL157169 SureChEMBL
    20097213 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.