Dataset

Ranitidine; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002479 contains the MS 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002479
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    MCULE-6666183486 Mcule
    LSM-42886 LINCS
    HY-B0693 MedChemExpress
    229855 Brenda
    229854 Brenda
    1234 Guide to Pharmacology
    ZINC000001530728 ZINC
    50103506 BindingDB
    8776 ChEBI
    3001055 PubChem
    PD009680 ProbesDrugs
    14776753 PubChem: Thomson Pharma
    66357-35-5 ACToR
    237183 BindingDB
    PA451224 PharmGKB
    CB5480252 ChemicalBook
    HMDB0001930 Human Metabolome Database
    SCHEMBL825 SureChEMBL
    The data in this table is sourced from UniChem at EBI.