Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-6-9-10-11-12-13(8)9/h1-6H
SMILES c1ccc2c(c1)n1nnnc1cc2
InChI Key HHFCAUSIBNOUOP-UHFFFAOYSA-N
Molecular Formula C9H6N4
Exact Mass 170.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HHFCAUSIBNOUOP-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HHFCAUSIBNOUOP-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-07
Related Molecule
  • tetrazolo[1,5-a]quinoline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1368459 SureChEMBL
    235-25-6 ACToR
    243033 PubChem
    CHEMBL1881256 ChEMBL
    J149.846K Nikkaji
    ZINC000000331536 ZINC
    DTXSID00287697 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.