Dataset

Venlafaxine; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA000318 contains the MS 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 COc(c2)ccc(c2)C(CN(C)C)C(O)(C1)CCCC1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000318
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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
    CB42567671 ChemicalBook
    VENLAFAXINE HYDROCHLORIDE clinicaltrials
    VENLAFAXINE clinicaltrials
    HY-B0196 MedChemExpress
    GRZ5RCB1QG FDA SRS
    DTXSID6023737 EPA CompTox Dashboard
    2813 DrugCentral
    7321 Guide to Pharmacology
    J347.732K Nikkaji
    EFFEXOR clinicaltrials
    WY-45030 clinicaltrials
    EFFEXOR rxnorm
    VENLAFAXINE HYDROCHLORIDE rxnorm
    VENLAFAXINE DailyMed
    VENLAFAXINE rxnorm
    82071 BindingDB
    CB14918799 ChemicalBook
    CHEMBL637 ChEMBL
    DB00285 DrugBank
    C07187 KEGG Ligand
    9943 ChEBI
    210372 Brenda
    venlafaxine DailyMed
    CB7136180 ChemicalBook
    HMDB0005016 Human Metabolome Database
    5656 PubChem
    MCULE-6632261838 Mcule
    SCHEMBL35154 SureChEMBL
    902654 eMolecules
    PD010124 ProbesDrugs
    15222119 PubChem: Thomson Pharma
    PA451866 PharmGKB
    LSM-1616 LINCS
    93413-69-5 ACToR
    The data in this table is sourced from UniChem at EBI.