Dataset

ORTHO-IODOBENZOIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010338 contains the MS mass spectrum of ORTHO-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-JP010338
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
    CHEBI:287979 chebi
    CHEMBL112424 chembl
    40612 surechembl
    6941 pubchem
    PD220561 probes_and_drugs
    OIBZAC CCDC
    20944 brenda
    94524 brenda
    7Q00V80J7Q fdasrs
    HMDB0245179 hmdb
    Molport-000-141-681 molport
    The data in this table is sourced from UniChem at EBI.