Dataset

Tramadol N-Oxide; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU208502 contains the MS2 mass spectrum of Tramadol N-Oxide with the InChIkey HBXKSXMNNGHBEA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
SMILES COC1=CC=CC(=C1)C1(O)CCCCC1C[N+](C)(C)[O-]
InChI Key HBXKSXMNNGHBEA-UHFFFAOYSA-N
Molecular Formula C16H25NO3
Exact Mass 279.183 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-AU208502
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MetadataPublished 2015-12-05
Related Molecule
  • 1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22016064 PubChem
    SCHEMBL14538790 SureChEMBL
    PD161787 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.