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)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
SMILES COc1ccc(cc1)N1C(O)c2c(C1=O)cccc2
InChI Key GJYIWQYBISMEII-UHFFFAOYSA-N
Molecular Formula C15H13NO3
Exact Mass 255.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000473
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-19
Related Molecule
  • 3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8628210 eMolecules
    SCHEMBL10555654 SureChEMBL
    3688143 PubChem
    16571308 PubChem: Thomson Pharma
    MCULE-8902453663 Mcule
    J2.206.822I Nikkaji
    CHEMBL1300465 ChEMBL
    The data in this table is sourced from UniChem at EBI.