Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2O2/c17-9-13-5-1-3-11(15-13)7-8-12-4-2-6-14(10-18)16-12/h1-6,9-10H,7-8H2
SMILES O=Cc1cccc(n1)CCc1cccc(n1)C=O
InChI Key ZLWCJIJDQBYWSZ-UHFFFAOYSA-N
Molecular Formula C14H12N2O2
Exact Mass 240.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZLWCJIJDQBYWSZ-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/ZLWCJIJDQBYWSZ-UHFFFAOYSA-N/CHMO0000485
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • 6-[2-(6-formylpyridin-2-yl)ethyl]pyridine-2-carbaldehyde
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4277547 PubChem
    SCHEMBL12664449 SureChEMBL
    J2.441.667D Nikkaji
    ZINC000003132822 ZINC
    MCULE-1823074233 Mcule
    1106420 eMolecules
    The data in this table is sourced from UniChem at EBI.