Dataset

Imazaquin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000188 contains the MS2 mass spectrum of Imazaquin with the InChIkey CABMTIJINOIHOD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
SMILES OC(=O)c(c2)c(nc(c3)c(ccc3)2)C(N1)=NC(C)(C(C)C)C(=O)1
InChI Key CABMTIJINOIHOD-UHFFFAOYSA-N
Molecular Formula C17H17N3O3
Exact Mass 311.127 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000188
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    502856 eMolecules
    124344774 PubChem: Thomson Pharma
    81335-37-7 ACToR
    PD039691 ProbesDrugs
    54739 PubChem
    SCHEMBL18804 SureChEMBL
    4296 Brenda
    MCULE-5064495052 Mcule
    DTXSID3024152 EPA CompTox Dashboard
    J364.773K Nikkaji
    147361 ChEBI
    8LZY7C31XA FDA SRS
    HY-W040189 MedChemExpress
    50486241 BindingDB
    CB4212023 ChemicalBook
    CHEMBL1447880 ChEMBL
    C05076 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.