Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H10INO3/c14-12-10-6-8(7-15)3-4-9(10)13(17)18-11(12)2-1-5-16/h3-4,6,16H,1-2,5H2
SMILES OCCCc1oc(=O)c2c(c1I)cc(cc2)C#N
InChI Key LYHRIOQOFDEOQY-UHFFFAOYSA-N
Molecular Formula C13H10INO3
Exact Mass 355.128 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYHRIOQOFDEOQY-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/LYHRIOQOFDEOQY-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 3-(3-hydroxypropyl)-4-iodo-1-oxoisochromene-6-carbonitrile
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301076 PubChem
    The data in this table is sourced from UniChem at EBI.