Dataset

N,O-Desmethyltramadol; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU228701 contains the MS2 mass spectrum of N,O-Desmethyltramadol with the InChIkey UWJUQVWARXYRCG-HIFRSBDPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
SMILES O[C@]2(c1cc(O)ccc1)CCCC[C@@H]2CN(C)C
InChI Key UWJUQVWARXYRCG-HIFRSBDPSA-N
Molecular Formula C15H23NO2
Exact Mass 249.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU228701
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MetadataPublished 2018-12-19
Related Molecule
  • 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50176263 BindingDB
    50176258 BindingDB
    J434.999G Nikkaji
    165221 ChEBI
    2WA8F50C3F FDA SRS
    9W28LW2ET5 FDA SRS
    CHEMBL1400 ChEMBL
    9838803 PubChem
    257101 Brenda
    PD039330 ProbesDrugs
    15122179 PubChem: Thomson Pharma
    SCHEMBL2517055 SureChEMBL
    16145150 PubChem: Thomson Pharma
    144830-14-8 ACToR
    26757428 eMolecules
    ZINC000002509756 ZINC
    HMDB0060997 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.