Dataset

3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000091 contains the MS2 mass spectrum of 3-Amino-1,2,4-triazole with the InChIkey KLSJWNVTNUYHDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
SMILES C1=NNC(=N1)N
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
Exact Mass 84.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000091
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1H-1,2,4-triazol-5-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:40036 chebi
    3TR rcsb_pdb
    CHEMBL232801 chembl
    1187664 surechembl
    20524329 surechembl
    28481 surechembl
    44637 surechembl
    9662517 surechembl
    1639 pubchem
    PD000597 probes_and_drugs
    AMTRAZ CCDC
    129664 brenda
    176620 brenda
    1815 brenda
    20121 brenda
    22086 brenda
    2242 brenda
    3TR - Ideal conformer pdbe
    ZF80H5GXUF fdasrs
    HMDB0245804 hmdb
    181126 bindingdb
    50204936 bindingdb
    The data in this table is sourced from UniChem at EBI.