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/C17H17NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)17(20)12-7-5-4-6-11(12)16(19)18-17/h4-9,20H,1-3H3,(H,18,19)
SMILES COc1cc(cc(c1OC)OC)C1(O)NC(=O)c2c1cccc2
InChI Key FKFCMYZOLLUPMB-UHFFFAOYSA-N
Molecular Formula C17H17NO5
Exact Mass 315.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FKFCMYZOLLUPMB-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/FKFCMYZOLLUPMB-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • 3-hydroxy-3-(3,4,5-trimethoxyphenyl)-2H-isoindol-1-one
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452727 pubchem
    The data in this table is sourced from UniChem at EBI.