Dataset

o-Dianisidine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF414004 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 COc1cc(ccc1N)-c1ccc(N)c(OC)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-UFZ-UF414004
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
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
    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.