Dataset

2-IODOBENZOIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009574 contains the MS mass spectrum of 2-IODOBENZOIC ACID with the InChIkey CJNZAXGUTKBIHP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
SMILES OC(=O)c(c1)c(I)ccc1
InChI Key CJNZAXGUTKBIHP-UHFFFAOYSA-N
Molecular Formula C7H5IO2
Exact Mass 247.933 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009574
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-iodobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14868440 PubChem: Thomson Pharma
    SCHEMBL40612 SureChEMBL
    1321-07-9 ACToR
    88-67-5 ACToR
    7Q00V80J7Q FDA SRS
    6941 PubChem
    506472 eMolecules
    94524 Brenda
    CB1126640 ChemicalBook
    MCULE-5987010449 Mcule
    10024833 NMRShiftDB
    CHEMBL112424 ChEMBL
    287979 ChEBI
    20944 Brenda
    DTXSID6058976 EPA CompTox Dashboard
    ZINC000000090931 ZINC
    OIBZAC CCDC
    J38.418F Nikkaji
    HMDB0245179 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.