Dataset

N,N-Didesvenlafaxine

This MassBank record with Accession MSBNK-Athens_Univ-AU201601 contains the MS2 mass spectrum of N,N-Didesvenlafaxine with the InChIkey SUQHIQRIIBKNOR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
SMILES COC1=CC=C(C=C1)C(CN)C1(O)CCCCC1
InChI Key SUQHIQRIIBKNOR-UHFFFAOYSA-N
Molecular Formula C15H23NO2
Exact Mass 249.173 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-AU201601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:10.363216
MetadataModified 2024-01-11T09:48:10.501134
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9795857 PubChem
MCULE-7209143972 Mcule
PD016602 ProbesDrugs
14823418 PubChem: Thomson Pharma
SCHEMBL637250 SureChEMBL
83446 ChEBI
DTXSID50891440 EPA CompTox Dashboard
MTBLC83446 Metabolights
CB7403602 ChemicalBook
CB2154879 ChemicalBook
8319082 eMolecules
50010888 BindingDB
3235EO37UJ FDA SRS
J347.733I Nikkaji
CHEMBL98158 ChEMBL
The data in this table is sourced from UniChem at EBI.