Dataset

Neocuproine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310552 contains the MS2 mass spectrum of Neocuproine with the InChIkey IYRGXJIJGHOCFS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
SMILES CC1=NC2=C(C=C1)C=CC1=C2N=C(C)C=C1
InChI Key IYRGXJIJGHOCFS-UHFFFAOYSA-N
Molecular Formula C14H12N2
Exact Mass 208.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310552
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2,9-dimethyl-1,10-phenanthroline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:91222 chebi
    CHEMBL375781 chembl
    124563 surechembl
    29367091 surechembl
    29639703 surechembl
    65237 pubchem
    8E7D2SH3BV fdasrs
    PD011780 probes_and_drugs
    QQQACY CCDC
    16736 brenda
    178102 brenda
    43051 brenda
    4845 brenda
    98136 brenda
    HMDB0255520 hmdb
    Molport-001-786-869 molport
    64740 bindingdb
    The data in this table is sourced from UniChem at EBI.