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

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFINTMDLLYCINT-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/ZFINTMDLLYCINT-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • 3-(3,5-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
    29155421 surechembl
    30683778 surechembl
    122392069 pubchem
    The data in this table is sourced from UniChem at EBI.