Dataset

Venlafaxine N-Oxide

This MassBank record with Accession MSBNK-Athens_Univ-AU212101 contains the MS2 mass spectrum of Venlafaxine N-Oxide with the InChIkey LASJEFFANGIOGZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
SMILES OC1(C(C2=CC=C(OC)C=C2)C[N+](C)(C)[O-])CCCCC1
InChI Key LASJEFFANGIOGZ-UHFFFAOYSA-N
Molecular Formula C17H27NO3
Exact Mass 293.199 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-AU212101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:43:17.572752
MetadataModified 2024-01-11T09:43:17.717667
MetadataPublished 2015-12-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID90891489 EPA CompTox Dashboard
J2.888.406K Nikkaji
SCHEMBL3276808 SureChEMBL
181296 ChEBI
76559643 PubChem
The data in this table is sourced from UniChem at EBI.