Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClN4/c9-7-8(13-10)12-6-4-2-1-3-5(6)11-7/h1-4H,10H2,(H,12,13)
SMILES NNc1nc2ccccc2nc1Cl
InChI Key RODNZCIFRICALV-UHFFFAOYSA-N
Molecular Formula C8H7ClN4
Exact Mass 194.621 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RODNZCIFRICALV-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/RODNZCIFRICALV-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • (3-chloroquinoxalin-2-yl)hydrazine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7656150 eMolecules
    16878146 PubChem: Thomson Pharma
    ZINC000003096975 ZINC
    J3.062.084D Nikkaji
    DTXSID50394749 EPA CompTox Dashboard
    SCHEMBL462643 SureChEMBL
    3658820 PubChem
    MCULE-4905764033 Mcule
    The data in this table is sourced from UniChem at EBI.