Dataset

Ondansetron; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM852501 contains the MS2 mass spectrum of Ondansetron with the InChIkey FELGMEQIXOGIFQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
SMILES CN1C2=C(C3=C1C=CC=C3)C(=O)C(CN1C=CN=C1C)CC2
InChI Key FELGMEQIXOGIFQ-UHFFFAOYSA-N
Molecular Formula C18H19N3O
Exact Mass 293.153 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-CASMI_2016-SM852501
Version
Author
Maintainer
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MetadataPublished 2016-12-12
Related Molecule
  • 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00904 drugbank
    CHEBI:7773 chebi
    CHEMBL46 chembl
    29358872 surechembl
    4542 surechembl
    4595 pubchem
    4AF302ESOS fdasrs
    2290 gtopdb
    PD002938 probes_and_drugs
    122952 brenda
    HMDB0005035 hmdb
    Molport-001-944-253 molport
    1992 drugcentral
    85330 bindingdb
    The data in this table is sourced from UniChem at EBI.