Dataset

Ioxynil; LC-ESI-Q; MS; NEG; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002690 contains the MS mass spectrum of Ioxynil with the InChIkey NRXQIUSYPAHGNM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
SMILES N#Cc(c1)cc(I)c(O)c(I)1
InChI Key NRXQIUSYPAHGNM-UHFFFAOYSA-N
Molecular Formula C7H3I2NO
Exact Mass 370.830 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-WA002690
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-hydroxy-3,5-diiodobenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3122237736 Mcule
    20987 NMRShiftDB
    CB9365917 ChemicalBook
    23221 Brenda
    29452 Brenda
    ZINC000004262023 ZINC
    81821 ChEBI
    SCHEMBL39616 SureChEMBL
    8Y734M4V9E FDA SRS
    15530 PubChem
    1689-83-4 ACToR
    14755364 PubChem: Thomson Pharma
    500856 eMolecules
    J3.375H Nikkaji
    DTXSID8022161 EPA CompTox Dashboard
    XAZWIF CCDC
    HMDB0253557 Human Metabolome Database
    C18546 KEGG Ligand
    CHEMBL509523 ChEMBL
    The data in this table is sourced from UniChem at EBI.