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/C16H15NO4/c1-20-13-8-7-10(9-14(13)21-2)16(19)12-6-4-3-5-11(12)15(18)17-16/h3-9,19H,1-2H3,(H,17,18)
SMILES COc1cc(ccc1OC)C1(O)NC(=O)c2c1cccc2
InChI Key MYHTUPULZGQKPY-UHFFFAOYSA-N
Molecular Formula C16H15NO4
Exact Mass 285.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MYHTUPULZGQKPY-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/MYHTUPULZGQKPY-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • 3-(3,4-dimethoxyphenyl)-3-hydroxy-2H-isoindol-1-one
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    141527846 pubchem
    The data in this table is sourced from UniChem at EBI.