Dataset

Desmethylranitidine; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095123 contains the MS2 mass spectrum of Desmethylranitidine with the InChIkey WZLBVRXZNDXPPW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3
SMILES CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC
InChI Key WZLBVRXZNDXPPW-UHFFFAOYSA-N
Molecular Formula C12H20N4O3S
Exact Mass 300.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095123
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MetadataPublished 2023-11-09
Related Molecule
  • 1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163116 PubChem
    132051 ChEBI
    MTBLC132051 Metabolights
    HMDB0246778 Human Metabolome Database
    L0OF19OW3L FDA SRS
    The data in this table is sourced from UniChem at EBI.