Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU212104 contains the MS2 mass spectrum of Venlafaxine N-Oxide with the InChIkey LASJEFFANGIOGZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
SMILES OC1(C(C2=CC=C(OC)C=C2)C[N+](C)(C)[O-])CCCCC1
InChI Key LASJEFFANGIOGZ-UHFFFAOYSA-N
Molecular Formula C17H27NO3
Exact Mass 293.199 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-AU212104
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MetadataPublished 2015-12-04
Related Molecule
  • 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID90891489 EPA CompTox Dashboard
    J2.888.406K Nikkaji
    SCHEMBL3276808 SureChEMBL
    181296 ChEBI
    76559643 PubChem
    The data in this table is sourced from UniChem at EBI.