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
3235EO37UJ FDA SRS
MolPort-003-846-639 MolPort
MCULE-7209143972 Mcule
50010888 BindingDB
J347.733I Nikkaji
CHEMBL98158 ChEMBL
8319082 eMolecules
CB7403602 ChemicalBook
CB2154879 ChemicalBook
DTXSID50891440 EPA CompTox Dashboard
MTBLC83446 Metabolights
9795857 PubChem
PD016602 ProbesDrugs
14823418 PubChem: Thomson Pharma
SCHEMBL637250 SureChEMBL
83446 ChEBI
The data in this table is sourced from UniChem at EBI.