Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N6/c17-15-16(19-13-9-5-4-8-12(13)18-15)22-10-14(20-21-22)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
SMILES Nc1nc2ccccc2nc1n1nnc(c1)c1ccccc1
InChI Key XAKPOUMBAWIAJL-UHFFFAOYSA-N
Molecular Formula C16H12N6
Exact Mass 288.307 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XAKPOUMBAWIAJL-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/XAKPOUMBAWIAJL-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-(4-phenyltriazol-1-yl)quinoxalin-2-amine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623395 PubChem
    The data in this table is sourced from UniChem at EBI.