Dataset

Quinoline N-oxide; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU250905 contains the MS2 mass spectrum of Quinoline N-oxide with the InChIkey GIIWGCBLYNDKBO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
SMILES [O-][N+]1=CC=CC2=CC=CC=C12
InChI Key GIIWGCBLYNDKBO-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.053 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-AU250905
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • 1-oxidoquinolin-1-ium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181573 chebi
    QOX rcsb_pdb
    CHEMBL189783 chembl
    9531 surechembl
    15366 pubchem
    FADXOA CCDC
    183424 brenda
    Molport-001-779-835 molport
    The data in this table is sourced from UniChem at EBI.