Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H13NO5/c1-3-21-15(19)11-7-10-13(22-16(11)20)9-6-8(2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)
SMILES CCOC(=O)c1cc2c(=O)[nH]c3c(c2oc1=O)cc(cc3)C
InChI Key GNHBSKPKZQBYAA-UHFFFAOYSA-N
Molecular Formula C16H13NO5
Exact Mass 299.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNHBSKPKZQBYAA-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GNHBSKPKZQBYAA-UHFFFAOYSA-N/CHMO0000470
Version
Author Ashraf Aly
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-01
Related Molecule
  • ethyl 9-methyl-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    171904830 pubchem
    The data in this table is sourced from UniChem at EBI.