Dataset

Quinoline N-oxide; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU250902 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-AU250902
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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
    16105469 PubChem: Thomson Pharma
    15366 PubChem
    SCHEMBL9531 SureChEMBL
    181573 ChEBI
    1613-37-2 ACToR
    QOX PDBe
    711893 eMolecules
    6194804 eMolecules
    CB5758498 ChemicalBook
    DTXSID00167107 EPA CompTox Dashboard
    FADXOA CCDC
    J84.930H Nikkaji
    ZINC000000157019 ZINC
    CHEMBL189783 ChEMBL
    The data in this table is sourced from UniChem at EBI.