Dataset

4-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU249202 contains the MS2 mass spectrum of 4-Hydroxyquinoline with the InChIkey PMZDQRJGMBOQBF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
SMILES OC1=CC=NC2=CC=CC=C12
InChI Key PMZDQRJGMBOQBF-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-AU249202
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Author
Maintainer
Language
MetadataPublished 2019-04-05
Related Molecule
  • 1H-quinolin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C06343 KEGG Ligand
    ES1 PDBe
    15815 ChEBI
    DTXSID50209980 EPA CompTox Dashboard
    CB4372459 ChemicalBook
    J7.017C Nikkaji
    155900 ChEBI
    HMDB0246466 Human Metabolome Database
    NICJOZ CCDC
    14321 BindingDB
    J387.250E Nikkaji
    10023499 NMRShiftDB
    611-36-9 ACToR
    529-37-3 ACToR
    CHEMBL1232567 ChEMBL
    PD098672 ProbesDrugs
    69141 PubChem
    14992139 PubChem: Thomson Pharma
    15194652 PubChem: Thomson Pharma
    7533073 eMolecules
    520174 eMolecules
    22073 Brenda
    169670 Brenda
    97067 Brenda
    ZINC000008579890 ZINC
    135636 Brenda
    15815 Rhea
    CB2372460 ChemicalBook
    29311 Brenda
    SCHEMBL10031 SureChEMBL
    MCULE-2146022175 Mcule
    M1O131WXFO FDA SRS
    The data in this table is sourced from UniChem at EBI.