Dataset

Daminozide; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000698 contains the MS2 mass spectrum of Daminozide with the InChIkey NOQGZXFMHARMLW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
SMILES CN(C)NC(=O)CCC(O)=O
InChI Key NOQGZXFMHARMLW-UHFFFAOYSA-N
Molecular Formula C6H12N2O3
Exact Mass 160.085 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-KO000698
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:4312 chebi
    DZA rcsb_pdb
    CHEMBL2164243 chembl
    50347 surechembl
    15331 pubchem
    72200802 pubchem
    F6KF33M5UB fdasrs
    7025 gtopdb
    PD012692 probes_and_drugs
    109208 brenda
    DZA - Ideal conformer pdbe
    HMDB0250838 hmdb
    Molport-002-927-289 molport
    50395076 bindingdb
    The data in this table is sourced from UniChem at EBI.