Dataset

4,4`-Methylen-bis(2-methyl aniline); LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF414203 contains the MS2 mass spectrum of 4,4`-Methylen-bis(2-methyl aniline) with the InChIkey WECDUOXQLAIPQW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
SMILES Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChI Key WECDUOXQLAIPQW-UHFFFAOYSA-N
Molecular Formula C15H18N2
Exact Mass 226.147 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-UF414203
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MetadataPublished 2017-01-05
Related Molecule
  • 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5342200 ChemicalBook
    SCHEMBL237201 SureChEMBL
    MCULE-5798656388 Mcule
    OM5XWD3S2I FDA SRS
    20199008 NMRShiftDB
    13283 PubChem
    16387189 PubChem: Thomson Pharma
    838-88-0 ACToR
    54649-88-6 ACToR
    510898 eMolecules
    C19260 KEGG Ligand
    CHEMBL313443 ChEMBL
    DTXSID5020867 EPA CompTox Dashboard
    82343 ChEBI
    ZINC000000078247 ZINC
    J13.156C Nikkaji
    The data in this table is sourced from UniChem at EBI.