Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU243301 contains the MS2 mass spectrum of Benzidine with the InChIkey HFACYLZERDEVSX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
SMILES NC1=CC=C(C=C1)C1=CC=C(N)C=C1
InChI Key HFACYLZERDEVSX-UHFFFAOYSA-N
Molecular Formula C12H12N2
Exact Mass 184.100 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-AU243301
Version
Author
Maintainer
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MetadataPublished 2019-04-05
Related Molecule
  • 4-(4-aminophenyl)aniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:80495 chebi
    CHEMBL15901 chembl
    29021 surechembl
    7111 pubchem
    2X02101HVF fdasrs
    PD231504 probes_and_drugs
    BENZIE CCDC
    10588 brenda
    183754 brenda
    32707 brenda
    HMDB0041835 hmdb
    The data in this table is sourced from UniChem at EBI.