Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H13IO5/c1-19-13(17)8-4-5-9-10(7-8)12(15)11(3-2-6-16)20-14(9)18/h4-5,7,16H,2-3,6H2,1H3
SMILES OCCCc1oc(=O)c2c(c1I)cc(cc2)C(=O)OC
InChI Key OWXDPYNPNQPXIT-UHFFFAOYSA-N
Molecular Formula C14H13IO5
Exact Mass 388.154 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OWXDPYNPNQPXIT-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/OWXDPYNPNQPXIT-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-16
Related Molecule
  • methyl 3-(3-hydroxypropyl)-4-iodo-1-oxoisochromene-6-carboxylate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166625045 PubChem
    The data in this table is sourced from UniChem at EBI.