Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H
SMILES c1ccc(cc1)c1cnc2c(n1)cccc2
InChI Key QWNCDHYYJATYOG-UHFFFAOYSA-N
Molecular Formula C14H10N2
Exact Mass 206.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWNCDHYYJATYOG-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QWNCDHYYJATYOG-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-phenylquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-2516505278 Mcule
    78725 PubChem
    SCHEMBL87505 SureChEMBL
    15195645 PubChem: Thomson Pharma
    5021-43-2 ACToR
    1080183 eMolecules
    DTXSID50198244 EPA CompTox Dashboard
    VAKHUK CCDC
    J101.691A Nikkaji
    ZINC000000055213 ZINC
    CHEMBL69695 ChEMBL
    The data in this table is sourced from UniChem at EBI.