Dataset

Guanylurea; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM870902 contains the MS2 mass spectrum of Guanylurea with the InChIkey SQSPRWMERUQXNE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
SMILES NC(=N)NC(N)=O
InChI Key SQSPRWMERUQXNE-UHFFFAOYSA-N
Molecular Formula C2H6N4O
Exact Mass 102.054 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-CASMI_2016-SM870902
Version
Author
Maintainer
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MetadataPublished 2016-12-12
Related Molecule
  • diaminomethylideneurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:180964 chebi
    9U1 rcsb_pdb
    146394 surechembl
    397420 surechembl
    8859 pubchem
    128C2R3P8G fdasrs
    DIVVAF CCDC
    9U1 pdbe
    Molport-001-783-529 molport
    The data in this table is sourced from UniChem at EBI.