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/C15H11NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
SMILES COc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
InChI Key ZETLVSOYHDFNPZ-UHFFFAOYSA-N
Molecular Formula C15H11NO3
Exact Mass 253.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZETLVSOYHDFNPZ-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/ZETLVSOYHDFNPZ-UHFFFAOYSA-N/CHMO0000473
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-18
Related Molecule
  • 2-(4-methoxyphenyl)isoindole-1,3-dione
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DUDDAI CCDC
    ZINC000000134052 ZINC
    DTXSID70290693 EPA CompTox Dashboard
    J443.323H Nikkaji
    16326617 PubChem: Thomson Pharma
    CHEMBL1464423 ChEMBL
    250687 PubChem
    2142-04-3 ACToR
    626398 eMolecules
    MCULE-4424492515 Mcule
    SCHEMBL2550387 SureChEMBL
    The data in this table is sourced from UniChem at EBI.