Dataset

Fluvoxamine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU274003 contains the MS2 mass spectrum of Fluvoxamine with the InChIkey CJOFXWAVKWHTFT-UHFFFAOYSA-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
SMILES COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
InChI Key CJOFXWAVKWHTFT-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU274003
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2-[[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
    CHEMBL1621884 ChEMBL
    MCULE-9050806258 Mcule
    63804 BindingDB
    93274 ChEBI
    31226121 eMolecules
    LSM-3625 LINCS
    3404 PubChem
    PD010186 ProbesDrugs
    PA449690 PharmGKB
    HMDB0014322 Human Metabolome Database
    ZINC000252678020 ZINC
    The data in this table is sourced from UniChem at EBI.