Dataset

N,O-Didesmethylvenlafaxine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA265709 contains the MS2 mass spectrum of N,O-Didesmethylvenlafaxine with the InChIkey MMSWXJSQCAEDLK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
SMILES OC2(C(c1ccc(O)cc1)CNC)CCCCC2
InChI Key MMSWXJSQCAEDLK-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA265709
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83529 chebi
    902641 surechembl
    3451347 pubchem
    DYW3W9739Y fdasrs
    PD016603 probes_and_drugs
    HMDB0060852 hmdb
    Molport-003-846-641 molport
    The data in this table is sourced from UniChem at EBI.