Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)
SMILES COc1ccc(cc1)C1(O)NC(=O)c2c1cccc2
InChI Key LUFCKFOOXDPWBV-UHFFFAOYSA-N
Molecular Formula C15H13NO3
Exact Mass 255.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LUFCKFOOXDPWBV-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/LUFCKFOOXDPWBV-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10658659 PubChem
    15690874 PubChem: Thomson Pharma
    25574426 eMolecules
    J3.191.264D Nikkaji
    MCULE-5395984718 Mcule
    The data in this table is sourced from UniChem at EBI.