Dataset

N-Desmethylvenlafaxine

This MassBank record with Accession MSBNK-Eawag-EA103401 contains the MS2 mass spectrum of N-Desmethylvenlafaxine with the InChIkey MKAFOJAJJMUXLW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
SMILES CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
InChI Key MKAFOJAJJMUXLW-UHFFFAOYSA-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-Eawag-EA103401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:16.108517
MetadataModified 2025-02-09T10:45:42.116817
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1119 ChEMBL
19V5EX4E8B FDA SRS
J347.734G Nikkaji
83525 ChEBI
50367952 BindingDB
MTBLC83525 Metabolights
HMDB0013892 Human Metabolome Database
DTXSID20881050 EPA CompTox Dashboard
SCHEMBL734652 SureChEMBL
CB41176232 ChemicalBook
PD033415 ProbesDrugs
3501942 PubChem
14774753 PubChem: Thomson Pharma
8320712 eMolecules
The data in this table is sourced from UniChem at EBI.