Dataset

Tapentadol O-sulfate

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:32:32.078125
MetadataModified 2025-02-09T09:32:32.262503
MetadataPublished 2024-05-08
Related Molecule
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.