Dataset

2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ); LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU243703 contains the MS2 mass spectrum of 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ) with the InChIkey ARZWATDYIYAUTA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
SMILES CN1C(N)=NC2=C1C=CC1=NC=CC=C21
InChI Key ARZWATDYIYAUTA-UHFFFAOYSA-N
Molecular Formula C11H10N4
Exact Mass 198.091 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU243703
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MetadataPublished 2019-04-05
Related Molecule
  • 3-methylimidazo[4,5-f]quinolin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15171657 PubChem: Thomson Pharma
    53462 PubChem
    PD061036 ProbesDrugs
    76180-96-6 ACToR
    SCHEMBL605923 SureChEMBL
    30GL3D3T0G FDA SRS
    3714885 eMolecules
    42725 ChEBI
    ZINC000013282307 ZINC
    HMDB0029706 Human Metabolome Database
    163880 Brenda
    CB5332737 ChemicalBook
    AMQUIN CCDC
    DTXSID4020745 EPA CompTox Dashboard
    J45.287D Nikkaji
    GIQ PDBe
    C19180 KEGG Ligand
    CHEMBL1233049 ChEMBL
    The data in this table is sourced from UniChem at EBI.