Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H10N4/c1-3-7-13-11(5-1)17-9-15(19-13)16-10-18-12-6-2-4-8-14(12)20-16/h1-10H
SMILES c1ccc2c(c1)nc(cn2)c1cnc2c(n1)cccc2
InChI Key DSYFNRZHDYNTTD-UHFFFAOYSA-N
Molecular Formula C16H10N4
Exact Mass 258.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-31
Related Molecule
  • 2-quinoxalin-2-ylquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    FOCZED CCDC
    ZINC000001564233 ZINC
    J664.826F Nikkaji
    27739-37-3 ACToR
    SCHEMBL3076524 SureChEMBL
    16547031 PubChem: Thomson Pharma
    20168266 NMRShiftDB
    323100 PubChem
    The data in this table is sourced from UniChem at EBI.