Dataset

Fluvoxamine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000806 contains the MS mass spectrum of Fluvoxamine with the InChIkey CJOFXWAVKWHTFT-ZHZULCJRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14-
SMILES COCCCCC(=NOCCN)c(c1)ccc(c1)C(F)(F)F
InChI Key CJOFXWAVKWHTFT-ZHZULCJRSA-N
Molecular Formula C15H21F3N2O2
Exact Mass 318.156 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-WA000806
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J11.936I Nikkaji
    J1.245.131H Nikkaji
    J453.182E Nikkaji
    DTXSID60237496 EPA CompTox Dashboard
    CHEMBL1314286 ChEMBL
    4E72PH61HL FDA SRS
    ZINC000012466082 ZINC
    SCHEMBL178609 SureChEMBL
    5361192 PubChem
    15322702 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.