Dataset

Ranitidine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF412104 contains the MS2 mass spectrum of Ranitidine with the InChIkey VMXUWOKSQNHOCA-UKTHLTGXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
SMILES CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/N(=O)=O
InChI Key VMXUWOKSQNHOCA-UKTHLTGXSA-N
Molecular Formula C13H22N4O3S
Exact Mass 314.141 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-UFZ-UF412104
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MetadataPublished 2017-01-05
Related Molecule
  • (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8776 chebi
    826 surechembl
    3001055 pubchem
    PD009680 probes_and_drugs
    229854 brenda
    229855 brenda
    HMDB0001930 hmdb
    413129 bindingdb
    413133 bindingdb
    50739468 bindingdb
    50753450 bindingdb
    51508801 bindingdb
    51508813 bindingdb
    51513401 bindingdb
    Molport-003-666-370 molport
    The data in this table is sourced from UniChem at EBI.