Dataset

Tramadol; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA256704 contains the MS2 mass spectrum of Tramadol with the InChIkey TVYLLZQTGLZFBW-ZBFHGGJFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
SMILES COC1=CC=CC(=C1)[C@@]2(O)CCCC[C@@H]2CN(C)C
InChI Key TVYLLZQTGLZFBW-ZBFHGGJFSA-N
Molecular Formula C16H25NO2
Exact Mass 263.188 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-Eawag-EA256704
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MetadataPublished 2014-01-14
Related Molecule
  • (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75725 chebi
    CHEMBL1066 chembl
    7464 surechembl
    33741 pubchem
    0NG5TTM63P fdasrs
    39J1LGJ30J fdasrs
    PD010176 probes_and_drugs
    HMDB0014339 hmdb
    2711 drugcentral
    50176259 bindingdb
    The data in this table is sourced from UniChem at EBI.