Dataset

N-Bisdesmethyl Tramadol

This MassBank record with Accession MSBNK-Athens_Univ-AU201501 contains the MS2 mass spectrum of N-Bisdesmethyl Tramadol with the InChIkey QNPPIKMBCJUUTG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3
SMILES COC1=CC=CC(=C1)C1(O)CCCCC1CN
InChI Key QNPPIKMBCJUUTG-UHFFFAOYSA-N
Molecular Formula C14H21NO2
Exact Mass 235.157 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-AU201501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:58:03.886965
MetadataModified 2025-02-08T19:13:43.709135
MetadataPublished 2015-12-02
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3056578 PubChem
J75.434J Nikkaji
DTXSID40891510 EPA CompTox Dashboard
182633 ChEBI
73806-40-3 ACToR
SCHEMBL5411927 SureChEMBL
The data in this table is sourced from UniChem at EBI.