Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
SMILES Cc1ccc(cc1)N1C(O)c2c(C1=O)cccc2
InChI Key UWHQATUHQVAVJT-UHFFFAOYSA-N
Molecular Formula C15H13NO2
Exact Mass 239.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWHQATUHQVAVJT-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/UWHQATUHQVAVJT-UHFFFAOYSA-N/CHMO0000498
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-22
Related Molecule
  • 3-hydroxy-2-(4-methylphenyl)-3H-isoindol-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5671333 eMolecules
    81046164 PubChem: Thomson Pharma
    J2.206.821K Nikkaji
    14815075 PubChem
    MCULE-8331648406 Mcule
    The data in this table is sourced from UniChem at EBI.