Dataset

O-Desvenlafaxine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU202103 contains the MS2 mass spectrum of O-Desvenlafaxine with the InChIkey KYYIDSXMWOZKMP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
SMILES CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1
InChI Key KYYIDSXMWOZKMP-UHFFFAOYSA-N
Molecular Formula C16H25NO2
Exact Mass 263.189 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-AU202103
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MetadataPublished 2015-12-06
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14872425 PubChem: Thomson Pharma
    PD009285 ProbesDrugs
    desvenlafaxine Selleck
    SCHEMBL34864 SureChEMBL
    93413-62-8 ACToR
    8320714 eMolecules
    LSM-45451 LINCS
    MTBLC83527 Metabolights
    PA165958374 PharmGKB
    HMDB0015646 Human Metabolome Database
    CB8496834 ChemicalBook
    desvenlafaxine DailyMed
    DTXSID40869118 EPA CompTox Dashboard
    125017 PubChem
    4380 DrugCentral
    DESVENLAFAXINE DailyMed
    PRISTIQ rxnorm
    KHEDEZLA rxnorm
    DESVENLAFAXINE SUCCINATE rxnorm
    DESVENLAFAXINE rxnorm
    86748 BindingDB
    DESVENLAFAXINE clinicaltrials
    DVS-233 clinicaltrials
    PRISTIQ clinicaltrials
    NG99554ANW FDA SRS
    7158 Guide to Pharmacology
    J347.736C Nikkaji
    DESVENLAFAXINE SUCCINATE clinicaltrials
    83527 ChEBI
    210371 Brenda
    DB06700 DrugBank
    CHEMBL1118 ChEMBL
    The data in this table is sourced from UniChem at EBI.