Dataset

MeIQX; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA000603 contains the MS2 mass spectrum of MeIQX with the InChIkey DVCCCQNKIYNAKB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
SMILES Cc1cnc2ccc3c(c2n1)nc(n3C)N
InChI Key DVCCCQNKIYNAKB-UHFFFAOYSA-N
Molecular Formula C11H11N5
Exact Mass 213.101 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-UFZ-UA000603
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MetadataPublished 2014-06-24
Related Molecule
  • 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C19255 KEGG Ligand
    J45.288B Nikkaji
    DTXSID1020801 EPA CompTox Dashboard
    SCHEMBL895846 SureChEMBL
    16167742 PubChem: Thomson Pharma
    77500-04-0 ACToR
    PD150539 ProbesDrugs
    5GYH6416ZG FDA SRS
    3714924 eMolecules
    HMDB0029864 Human Metabolome Database
    ZINC000013208862 ZINC
    76604 ChEBI
    62275 PubChem
    The data in this table is sourced from UniChem at EBI.