Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C9H8INO3/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H2,11,12)
SMILES COC(=O)c1ccc(cc1I)C(=O)N
InChI Key YYPUICOMUKAJFK-UHFFFAOYSA-N
Molecular Formula C9H8INO3
Exact Mass 305.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYPUICOMUKAJFK-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/YYPUICOMUKAJFK-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • methyl 4-carbamoyl-2-iodobenzoate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138705627 PubChem
    The data in this table is sourced from UniChem at EBI.