Dataset

2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003942 contains the MS2 mass spectrum of 2(1H)-Quinolinone with the InChIkey LISFMEBWQUVKPJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
SMILES O=C(C=1)Nc(c2)c(ccc2)C1
InChI Key LISFMEBWQUVKPJ-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003942
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1H-quinolin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04745 drugbank
    CHEBI:16365 chebi
    CHEBI:18289 chebi
    OCH rcsb_pdb
    CHEMBL186422 chembl
    29351086 surechembl
    29376435 surechembl
    84064 surechembl
    8621 surechembl
    6038 pubchem
    803BHY7QWU fdasrs
    PD006430 probes_and_drugs
    HXQUIO CCDC
    177253 brenda
    19945 brenda
    30890 brenda
    6429 brenda
    97065 brenda
    OCH - Ideal conformer pdbe
    Molport-001-572-853 molport
    Molport-001-759-952 molport
    50366034 bindingdb
    The data in this table is sourced from UniChem at EBI.