Dataset

2,4,6-Triiodophenol; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092200 contains the MS2 mass spectrum of 2,4,6-Triiodophenol with the InChIkey VAPDZNUFNKUROY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
SMILES Oc1c(I)cc(I)cc1I
InChI Key VAPDZNUFNKUROY-UHFFFAOYSA-N
Molecular Formula C6H3I3O
Exact Mass 471.732 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092200
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 2,4,6-triiodophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID8022080 EPA CompTox Dashboard
    BOLNEW CCDC
    50301374 BindingDB
    J50.179D Nikkaji
    CHEMBL81721 ChEMBL
    9RB2R81A7U FDA SRS
    14932081 PubChem: Thomson Pharma
    PD063361 ProbesDrugs
    609-23-4 ACToR
    481232 eMolecules
    SCHEMBL338137 SureChEMBL
    30096244 NMRShiftDB
    11862 PubChem
    ZINC000003861066 ZINC
    LSM-45809 LINCS
    CB5392306 ChemicalBook
    114801 Brenda
    The data in this table is sourced from UniChem at EBI.