Dataset

Iopamidol; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311091956 contains the MS2 mass spectrum of Iopamidol with the InChIkey XQZXYNRDCRIARQ-LURJTMIESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1
SMILES C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
InChI Key XQZXYNRDCRIARQ-LURJTMIESA-N
Molecular Formula C17H22I3N3O8
Exact Mass 776.854 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091956
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    65492 PubChem
    PD001698 ProbesDrugs
    14913697 PubChem: Thomson Pharma
    LSM-5833 LINCS
    60166-93-0 ACToR
    JR13W81H44 FDA SRS
    36753566 eMolecules
    31588820 eMolecules
    ZINC000003830947 ZINC
    iopamidol DailyMed
    CB5384796 ChemicalBook
    SCHEMBL27781 SureChEMBL
    12015543 PubChem: Drugs of the Future
    CHEMBL1200932 ChEMBL
    31711 ChEBI
    CARPEQ CCDC
    J18.254K Nikkaji
    DTXSID1023158 EPA CompTox Dashboard
    SCHEMBL23804118 SureChEMBL
    HY-B0684 MedChemExpress
    IOPAMIDOL clinicaltrials
    IOPAMIRON clinicaltrials
    ISOVUE clinicaltrials
    IOPAMIDOL rxnorm
    IOPAMIDOL DailyMed
    DB08947 DrugBank
    1464 DrugCentral
    The data in this table is sourced from UniChem at EBI.