Dataset

QUINOLINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010830 contains the MS mass spectrum of QUINOLINE with the InChIkey SMWDFEZZVXVKRB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
SMILES c(c2)cc(c1)c(c2)ncc1
InChI Key SMWDFEZZVXVKRB-UHFFFAOYSA-N
Molecular Formula C9H7N
Exact Mass 129.058 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-Fac_Eng_Univ_Tokyo-JP010830
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • quinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10008748 NMRShiftDB
    SCHEMBL2774 SureChEMBL
    MCULE-2825394284 Mcule
    ZINC000000896153 ZINC
    CB2331254 ChemicalBook
    HMDB0033731 Human Metabolome Database
    17362 Rhea
    1565 Brenda
    15297227 PubChem: Thomson Pharma
    7047 PubChem
    PD144439 ProbesDrugs
    91-22-5 ACToR
    20214-07-7 ACToR
    483237 eMolecules
    C06413 KEGG Ligand
    CHEMBL14474 ChEMBL
    17362 ChEBI
    DTXSID1021798 EPA CompTox Dashboard
    J3.922E Nikkaji
    50047015 BindingDB
    EDAVUA CCDC
    DB18050 DrugBank
    49648 Brenda
    E66400VT9R FDA SRS
    The data in this table is sourced from UniChem at EBI.