Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
SMILES O=C1C=CC(=O)c2c1c(O)ccc2O
InChI Key RQNVIKXOOKXAJQ-UHFFFAOYSA-N
Molecular Formula C10H6O4
Exact Mass 190.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/RQNVIKXOOKXAJQ-UHFFFAOYSA-N/Mass/EI
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 5,8-dihydroxynaphthalene-1,4-dione
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28849 chebi
    X7F rcsb_pdb
    CHEMBL274056 chembl
    149279 surechembl
    29353283 surechembl
    10141 pubchem
    S9IX5I5C0K fdasrs
    PD119876 probes_and_drugs
    DHNAPH CCDC
    108485 brenda
    166651 brenda
    18156 brenda
    5918 brenda
    87359 brenda
    HMDB0255448 hmdb
    Molport-001-789-071 molport
    50060898 bindingdb
    The data in this table is sourced from UniChem at EBI.