Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)
SMILES NNC(=O)Cc1nnn[nH]1
InChI Key TWKUAKLZOIABHJ-UHFFFAOYSA-N
Molecular Formula C3H6N6O
Exact Mass 142.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000498
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-16
Related Molecule
  • 2-(2H-tetrazol-5-yl)acetohydrazide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.529.631A Nikkaji
    CHEMBL3785434 ChEMBL
    ZINC000090613053 ZINC
    CB02560957 ChemicalBook
    50158850 BindingDB
    223562 Brenda
    MCULE-5629806431 Mcule
    55281807 PubChem
    32232510 eMolecules
    The data in this table is sourced from UniChem at EBI.