Dataset

Amitrole; LC-ESI-QTOF; MS2; CE: Ramp 14.4-21.6 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU279206 contains the MS2 mass spectrum of Amitrole 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 NC1=NC=NN1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU279206
Version
Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
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    • 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
    ZF80H5GXUF fdasrs
    HMDB0245804 hmdb
    181126 bindingdb
    50204936 bindingdb
    The data in this table is sourced from UniChem at EBI.