Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU242801 contains the MS2 mass spectrum of Aniline Yellow with the InChIkey QPQKUYVSJWQSDY-CCEZHUSRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+
SMILES NC1=CC=C(C=C1)\N=N\C1=CC=CC=C1
InChI Key QPQKUYVSJWQSDY-CCEZHUSRSA-N
Molecular Formula C12H11N3
Exact Mass 197.095 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-AU242801
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Maintainer
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MetadataPublished 2019-04-05
Related Molecule
  • nfdi4chem-mol25668(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57X2AH42T1 FDA SRS
    15171641 PubChem: Thomson Pharma
    25548-34-9 ACToR
    60-09-3 ACToR
    921176 eMolecules
    SCHEMBL208182 SureChEMBL
    20109406 NMRShiftDB
    MCULE-4105102847 Mcule
    46984 Brenda
    ZINC000018060741 ZINC
    CB0380940 ChemicalBook
    136377 Brenda
    141674 Brenda
    J2.498.412E Nikkaji
    DTXSID6024460 EPA CompTox Dashboard
    TABBAD CCDC
    J2.337J Nikkaji
    J485.147A Nikkaji
    C19187 KEGG Ligand
    233869 ChEBI
    CHEMBL83761 ChEMBL
    The data in this table is sourced from UniChem at EBI.