Dataset

N,N-Didesvenlafaxine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU201604 contains the MS2 mass spectrum of N,N-Didesvenlafaxine with the InChIkey SUQHIQRIIBKNOR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
SMILES COC1=CC=C(C=C1)C(CN)C1(O)CCCCC1
InChI Key SUQHIQRIIBKNOR-UHFFFAOYSA-N
Molecular Formula C15H23NO2
Exact Mass 249.173 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-Athens_Univ-AU201604
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MetadataPublished 2015-12-03
Related Molecule
  • 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83446 chebi
    CHEMBL98158 chembl
    637250 surechembl
    9795857 pubchem
    3235EO37UJ fdasrs
    PD016602 probes_and_drugs
    Molport-003-846-639 molport
    50010888 bindingdb
    The data in this table is sourced from UniChem at EBI.