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
Version
Author
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
    MCULE-6635867482 Mcule
    7417 PubChem
    10008867 NMRShiftDB
    476385 eMolecules
    15934446 PubChem: Thomson Pharma
    99-03-6 ACToR
    SCHEMBL330495 SureChEMBL
    182866 ChEBI
    3AO PDBe
    51766 Brenda
    32358 Brenda
    39151 Brenda
    CB4179278 ChemicalBook
    221612 Brenda
    DTXSID0021830 EPA CompTox Dashboard
    CHEMBL3408644 ChEMBL
    J3.226C Nikkaji
    ZINC000000157542 ZINC
    The data in this table is sourced from UniChem at EBI.