Dataset

Tapentadol O-sulfate; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01156159 contains the MS2 mass spectrum of Tapentadol O-sulfate with the InChIkey HPEFZESOUVTBSA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)
SMILES CCC(C1=CC(=CC=C1)OS(=O)(=O)O)C(C)CN(C)C
InChI Key HPEFZESOUVTBSA-UHFFFAOYSA-N
Molecular Formula C14H23NO4S
Exact Mass 301.135 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-Eawag-EQ01156159
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MetadataPublished 2024-05-08
Related Molecule
  • [3-[1-(dimethylamino)-2-methylpentan-3-yl]phenyl] hydrogen sulfate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    78046278 pubchem
    The data in this table is sourced from UniChem at EBI.