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
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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
    DTXSID0045171 EPA CompTox Dashboard
    HMDB0245703 Human Metabolome Database
    DB09282 DrugBank
    MOLSIDOMINE clinicaltrials
    HY-B1069 MedChemExpress
    MOLSIDOMINE rxnorm
    MCULE-1835289527 Mcule
    92623 ChEBI
    39912 BindingDB
    KABZES CCDC
    12013439 PubChem: Drugs of the Future
    CHEMBL1329455 ChEMBL
    5360788 PubChem
    5353788 PubChem
    4238 PubChem
    14749613 PubChem: Thomson Pharma
    SCHEMBL34019 SureChEMBL
    25717-80-0 ACToR
    D46583G77X FDA SRS
    31861 ChEBI
    PD001642 ProbesDrugs
    1934981 eMolecules
    The data in this table is sourced from UniChem at EBI.