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
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MetadataPublished 2014-01-14
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DYW3W9739Y FDA SRS
    HMDB0060852 Human Metabolome Database
    83529 ChEBI
    J393.602C Nikkaji
    MTBLC83529 Metabolights
    DTXSID10891441 EPA CompTox Dashboard
    CB81176230 ChemicalBook
    3451347 PubChem
    PD016603 ProbesDrugs
    8320870 eMolecules
    14823417 PubChem: Thomson Pharma
    SCHEMBL902641 SureChEMBL
    The data in this table is sourced from UniChem at EBI.