Dataset

Molsidomine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002976 contains the MS mass spectrum of Molsidomine with the InChIkey XLFWDASMENKTKL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3
SMILES CCOC([O-1])=Nc(o2)c[n+1](n2)N(C1)CCOC1
InChI Key XLFWDASMENKTKL-UHFFFAOYSA-N
Molecular Formula C9H14N4O4
Exact Mass 242.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002976
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09282 drugbank
    CHEBI:31861 chebi
    CHEBI:92623 chebi
    CHEMBL1329455 chembl
    29389310 surechembl
    34019 surechembl
    34020 surechembl
    612914 surechembl
    4238 pubchem
    5353788 pubchem
    5360788 pubchem
    D46583G77X fdasrs
    PD001642 probes_and_drugs
    KABZES CCDC
    HMDB0245703 hmdb
    Molport-003-666-317 molport
    1831 drugcentral
    39912 bindingdb
    The data in this table is sourced from UniChem at EBI.