Dataset

RIVAROXABAN; ESI-QTOF; MS2; CE 23eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00012 contains the MS2 mass spectrum of RIVAROXABAN with the InChIkey KGFYHTZWPPHNLQ-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
SMILES C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
InChI Key KGFYHTZWPPHNLQ-AWEZNQCLSA-N
Molecular Formula C19H18ClN3O5S
Exact Mass 435.066 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-UPAO-UPA00012
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MetadataPublished 2016-01-19
Related Molecule
  • 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06228 drugbank
    CHEBI:68579 chebi
    RIV rcsb_pdb
    CHEMBL198362 chembl
    3914 surechembl
    9875401 pubchem
    9NDF7JZ4M3 fdasrs
    RIV pdbe
    PD004365 probes_and_drugs
    LEMSOO CCDC
    275375 brenda
    4737 brenda
    85908 brenda
    Molport-003-850-195 molport
    4182 drugcentral
    7840 bindingdb
    The data in this table is sourced from UniChem at EBI.