Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H
SMILES c1ccc2c(c1)n1nnnc1cn2
InChI Key LGMVEBQKPYIMMI-UHFFFAOYSA-N
Molecular Formula C8H5N5
Exact Mass 171.159 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LGMVEBQKPYIMMI-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/LGMVEBQKPYIMMI-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15091400 PubChem: Thomson Pharma
    SCHEMBL1602588 SureChEMBL
    J2.950.299D Nikkaji
    10103592 PubChem
    MCULE-1790963457 Mcule
    The data in this table is sourced from UniChem at EBI.