Dataset

Flumorph; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01125908 contains the MS2 mass spectrum of Flumorph with the InChIkey BKBSMMUEEAWFRX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
SMILES COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)F)OC
InChI Key BKBSMMUEEAWFRX-UHFFFAOYSA-N
Molecular Formula C21H22FNO4
Exact Mass 371.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01125908
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MetadataPublished 2023-04-27
Related Molecule
  • 3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83428 chebi
    21269 surechembl
    20056423 pubchem
    AV4LX5WS5P fdasrs
    PD101215 probes_and_drugs
    Molport-047-145-126 molport
    The data in this table is sourced from UniChem at EBI.