Dataset

1,4-naphthalene-dione; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA001803 contains the MS2 mass spectrum of 1,4-naphthalene-dione with the InChIkey FRASJONUBLZVQX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
SMILES O=C\2c1c(cccc1)C(=O)/C=C/2
InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N
Molecular Formula C10H6O2
Exact Mass 158.037 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-UFZ-UA001803
Version
Author
Maintainer
Language
MetadataPublished 2014-06-24
Related Molecule
  • naphthalene-1,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1,4-NAPHTHOQUINONE rxnorm
    24776 BindingDB
    DTXSID5040704 EPA CompTox Dashboard
    J5.430E Nikkaji
    NAPHQU CCDC
    HY-W015490 MedChemExpress
    HMDB0244221 Human Metabolome Database
    C02617 KEGG Ligand
    27418 ChEBI
    CHEMBL55934 ChEMBL
    PD001214 ProbesDrugs
    8530 PubChem
    RBF5ZU7R7K FDA SRS
    130-15-4 ACToR
    14793918 PubChem: Thomson Pharma
    483192 eMolecules
    1083 Brenda
    154093 Brenda
    43754 Brenda
    74292 Brenda
    ZINC000000901405 ZINC
    83127 Brenda
    51221 Brenda
    CB7381254 ChemicalBook
    5583 Brenda
    SCHEMBL42139 SureChEMBL
    MCULE-4996549760 Mcule
    10015931 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.