Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C16H15NO4/c1-20-13(21-2)9-17-15(18)11-7-3-5-10-6-4-8-12(14(10)11)16(17)19/h3-8,13H,9H2,1-2H3
SMILES COC(CN1C(=O)c2cccc3c2c(C1=O)ccc3)OC
InChI Key IPQNHLBUWYQHDL-UHFFFAOYSA-N
Molecular Formula C16H15NO4
Exact Mass 285.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPQNHLBUWYQHDL-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/IPQNHLBUWYQHDL-UHFFFAOYSA-N/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-04-28
Related Molecule
  • 2-(2,2-dimethoxyethyl)benzo[de]isoquinoline-1,3-dione
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7795850388 Mcule
    ZINC000004280218 ZINC
    357360 PubChem
    CHEMBL1986485 ChEMBL
    2451092 eMolecules
    The data in this table is sourced from UniChem at EBI.