Dataset

Venlafaxine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU150201 contains the MS2 mass spectrum of Venlafaxine with the InChIkey PNVNVHUZROJLTJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
SMILES CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O
InChI Key PNVNVHUZROJLTJ-UHFFFAOYSA-N
Molecular Formula C17H27NO2
Exact Mass 277.204 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-AU150201
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MetadataPublished 2015-12-07
Related Molecule
  • 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00285 drugbank
    CHEBI:9943 chebi
    CHEMBL637 chembl
    35154 surechembl
    5656 pubchem
    GRZ5RCB1QG fdasrs
    7321 gtopdb
    PD010124 probes_and_drugs
    210372 brenda
    HMDB0005016 hmdb
    Molport-003-666-534 molport
    2813 drugcentral
    82071 bindingdb
    The data in this table is sourced from UniChem at EBI.