Dataset

Iodocarb; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA030513 contains the MS2 mass spectrum of Iodocarb with the InChIkey WYVVKGNFXHOCQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
SMILES N(C(OCC#CI)=O)CCCC
InChI Key WYVVKGNFXHOCQV-UHFFFAOYSA-N
Molecular Formula C8H12INO2
Exact Mass 280.991 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-Eawag-EA030513
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MetadataPublished 2014-01-14
Related Molecule
  • 3-iodoprop-2-ynyl N-butylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15666 drugbank
    CHEBI:83279 chebi
    CHEMBL1893913 chembl
    114369 surechembl
    62097 pubchem
    603P14DHEB fdasrs
    PD126843 probes_and_drugs
    TOYPUS CCDC
    HMDB0246958 hmdb
    Molport-003-935-756 molport
    The data in this table is sourced from UniChem at EBI.