Dataset

Iomeprol; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092844 contains the MS2 mass spectrum of Iomeprol with the InChIkey NJKDOADNQSYQEV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
SMILES CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI Key NJKDOADNQSYQEV-UHFFFAOYSA-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-CSL2311092844
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Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    EYUPUL CCDC
    HMDB0253541 Human Metabolome Database
    J277.762B Nikkaji
    17E17JBP8L FDA SRS
    E7337 clinicaltrials
    E-7337 clinicaltrials
    IOMEPROL clinicaltrials
    1463 DrugCentral
    DTXSID1049061 EPA CompTox Dashboard
    CB3193972 ChemicalBook
    12013708 PubChem: Drugs of the Future
    31710 ChEBI
    DB11705 DrugBank
    3731 PubChem
    14766870 PubChem: Thomson Pharma
    SCHEMBL26981 SureChEMBL
    78649-41-9 ACToR
    PD013747 ProbesDrugs
    CHEMBL2107214 ChEMBL
    1987235 eMolecules
    The data in this table is sourced from UniChem at EBI.