Dataset

2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU249105 contains the MS2 mass spectrum of 2-Hydroxyquinoline 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 OC1=NC2=CC=CC=C2C=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU249105
Version
Author
Maintainer
Language
MetadataPublished 2019-04-08
Related Molecule
  • 1H-quinolin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J4.598E Nikkaji
    50366034 BindingDB
    DTXSID1058769 EPA CompTox Dashboard
    HXQUIO CCDC
    CB5730153 ChemicalBook
    CHEMBL186422 ChEMBL
    DB04745 DrugBank
    C06338 KEGG Ligand
    18289 ChEBI
    OCH PDBe
    16365 ChEBI
    C06415 KEGG Ligand
    ZINC000008579298 ZINC
    CB2730152 ChemicalBook
    16365 Rhea
    6429 Brenda
    30890 Brenda
    18289 Rhea
    19945 Brenda
    97065 Brenda
    MTBLC16365 Metabolights
    MTBLC18289 Metabolights
    10023501 NMRShiftDB
    MCULE-5331233860 Mcule
    6038 PubChem
    PD006430 ProbesDrugs
    CB4497671 ChemicalBook
    803BHY7QWU FDA SRS
    14818270 PubChem: Thomson Pharma
    493-62-9 ACToR
    104534-80-7 ACToR
    70254-42-1 ACToR
    1321-40-0 ACToR
    15219149 PubChem: Thomson Pharma
    SCHEMBL8621 SureChEMBL
    2731012 eMolecules
    493486 eMolecules
    The data in this table is sourced from UniChem at EBI.