Dataset

Tramadol N-Oxide

This MassBank record with Accession MSBNK-Athens_Univ-AU208503 contains the MS2 mass spectrum of Tramadol N-Oxide with the InChIkey HBXKSXMNNGHBEA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
SMILES COC1=CC=CC(=C1)C1(O)CCCCC1C[N+](C)(C)[O-]
InChI Key HBXKSXMNNGHBEA-UHFFFAOYSA-N
Molecular Formula C16H25NO3
Exact Mass 279.183 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-AU208503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:43.928513
MetadataModified 2024-01-11T09:46:44.081625
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
22016064 PubChem
SCHEMBL14538790 SureChEMBL
PD161787 ProbesDrugs
The data in this table is sourced from UniChem at EBI.