Dataset

O-Desmethylvenlafaxine

This MassBank record with Accession MSBNK-Waters-WA002814 contains the MS mass spectrum of O-Desmethylvenlafaxine with the InChIkey KYYIDSXMWOZKMP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
SMILES	CN(C)CC(c(c2)ccc(O)c2)C(O)(C1)CCCC1
InChI Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Molecular Formula	C16H25NO2
Exact Mass	263.189 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002814
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:21.818669
MetadataModified	2025-02-09T20:19:27.103538
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14872425	PubChem: Thomson Pharma
PD009285	ProbesDrugs
desvenlafaxine	Selleck
SCHEMBL34864	SureChEMBL
93413-62-8	ACToR
8320714	eMolecules
LSM-45451	LINCS
MTBLC83527	Metabolights
PA165958374	PharmGKB
HMDB0015646	Human Metabolome Database
CB8496834	ChemicalBook
desvenlafaxine	DailyMed
DTXSID40869118	EPA CompTox Dashboard
125017	PubChem
4380	DrugCentral
DESVENLAFAXINE	DailyMed
PRISTIQ	rxnorm
KHEDEZLA	rxnorm
DESVENLAFAXINE SUCCINATE	rxnorm
DESVENLAFAXINE	rxnorm
86748	BindingDB
DESVENLAFAXINE	clinicaltrials
DVS-233	clinicaltrials
PRISTIQ	clinicaltrials
NG99554ANW	FDA SRS
7158	Guide to Pharmacology
J347.736C	Nikkaji
DESVENLAFAXINE SUCCINATE	clinicaltrials
83527	ChEBI
210371	Brenda
DB06700	DrugBank
CHEMBL1118	ChEMBL
The data in this table is sourced from UniChem at EBI.