Dataset

Tramadol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF410303 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@@]1(O)CCCC[C@@H]1CN(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-UFZ-UF410303
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MetadataPublished 2017-01-05
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
    50211552 bindingdb
    50498738 bindingdb
    50498751 bindingdb
    50498754 bindingdb
    50498774 bindingdb
    50661973 bindingdb
    50793950 bindingdb
    50836280 bindingdb
    50836281 bindingdb
    50836282 bindingdb
    50836283 bindingdb
    50836284 bindingdb
    50836285 bindingdb
    50836288 bindingdb
    50836289 bindingdb
    50836290 bindingdb
    50836291 bindingdb
    50836293 bindingdb
    50836295 bindingdb
    50855334 bindingdb
    50855335 bindingdb
    50855336 bindingdb
    50876254 bindingdb
    50876256 bindingdb
    50876944 bindingdb
    50942109 bindingdb
    51235149 bindingdb
    2711 drugcentral
    The data in this table is sourced from UniChem at EBI.