Dataset

Venlafaxine; LC-ESI-QTOF; MS2; 150 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095390 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095390
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
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    • 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
    DTXSID6023737 comptox
    NCT00177528 clinicaltrials
    NCT00188643 clinicaltrials
    NCT00316160 clinicaltrials
    NCT00546494 clinicaltrials
    NCT00839423 clinicaltrials
    NCT01370304 clinicaltrials
    NCT01418612 clinicaltrials
    NCT01418625 clinicaltrials
    NCT01867255 clinicaltrials
    NCT02417064 clinicaltrials
    NCT02418585 clinicaltrials
    NCT02422186 clinicaltrials
    NCT02493868 clinicaltrials
    NCT02497287 clinicaltrials
    NCT02711215 clinicaltrials
    NCT03434041 clinicaltrials
    Molport-003-666-534 molport
    2813 drugcentral
    82071 bindingdb
    The data in this table is sourced from UniChem at EBI.