Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU243901 contains the MS2 mass spectrum of 3-Aminoacetophenon with the InChIkey CKQHAYFOPRIUOM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
SMILES CC(=O)C1=CC(N)=CC=C1
InChI Key CKQHAYFOPRIUOM-UHFFFAOYSA-N
Molecular Formula C8H9NO
Exact Mass 135.068 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-AU243901
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Maintainer
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MetadataPublished 2019-04-05
Related Molecule
  • 1-(3-aminophenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:182866 chebi
    3AO rcsb_pdb
    CHEMBL3408644 chembl
    29841359 surechembl
    330495 surechembl
    7417 pubchem
    H366ULD45X fdasrs
    221612 brenda
    32358 brenda
    39151 brenda
    51766 brenda
    Molport-000-150-919 molport
    50546257 bindingdb
    The data in this table is sourced from UniChem at EBI.