Dataset

o-Dianisidine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU242701 contains the MS2 mass spectrum of o-Dianisidine with the InChIkey JRBJSXQPQWSCCF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
SMILES COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
Exact Mass 244.121 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-AU242701
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MetadataPublished 2019-04-05
Related Molecule
  • 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82321 chebi
    DDJ rcsb_pdb
    CHEMBL398363 chembl
    29399235 surechembl
    48945 surechembl
    8411 pubchem
    MJY508JZXV fdasrs
    PD045033 probes_and_drugs
    KUPZUT CCDC
    109539 brenda
    1648 brenda
    177494 brenda
    3545 brenda
    93162 brenda
    HMDB0246003 hmdb
    Molport-001-813-172 molport
    The data in this table is sourced from UniChem at EBI.