Dataset

3,3`-Dimethoxybenzidine; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027474 contains the MS2 mass spectrum of 3,3`-Dimethoxybenzidine 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=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
Exact Mass 244.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027474
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Author
Maintainer
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MetadataPublished 2023-11-10
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
    82321 ChEBI
    DTXSID3025091 EPA CompTox Dashboard
    ZINC000000056395 ZINC
    J3.253K Nikkaji
    HMDB0246003 Human Metabolome Database
    KUPZUT CCDC
    1648 Brenda
    CB7385595 ChemicalBook
    CHEMBL398363 ChEMBL
    C19231 KEGG Ligand
    MCULE-8032004109 Mcule
    20040442 NMRShiftDB
    3545 Brenda
    109539 Brenda
    93162 Brenda
    498550 eMolecules
    MJY508JZXV FDA SRS
    SCHEMBL48945 SureChEMBL
    119-90-4 ACToR
    PD045033 ProbesDrugs
    DDJ PDBe
    8411 PubChem
    15019916 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.