Dataset

Ranitidine; LC-ESI-IT; MS4; m/z: 315/224/191; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO009227 contains the MS4 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 CNC(NCCSCc(c1)oc(CN(C)C)c1)=C[N+1]([O-1])=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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO009227
Version
Author
Maintainer
Language
MetadataPublished 2011-12-05
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.