Dataset

Bupropion

This MassBank record with Accession MSBNK-Waters-WA001617 contains the MS mass spectrum of Bupropion with the InChIkey SNPPWIUOZRMYNY-UHFFFAOYSA-N.

InChI	InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
SMILES	CC(C)(C)NC(C)C(=O)c(c1)cc(Cl)cc1
InChI Key	SNPPWIUOZRMYNY-UHFFFAOYSA-N
Molecular Formula	C13H18ClNO
Exact Mass	239.108 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001617
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:32:58.359035
MetadataModified	2025-02-09T20:23:47.817064
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0001510	Human Metabolome Database
bupropion	DailyMed
19651	Brenda
444	PubChem
PD003148	ProbesDrugs
BW323	clinicaltrials
LSM-1267	LINCS
15196401	PubChem: Thomson Pharma
34841-39-9	ACToR
SCHEMBL38777	SureChEMBL
PA448687	PharmGKB
34911-55-2	ACToR
743581	eMolecules
ZYBAN	rxnorm
BUPROPION	rxnorm
BUPROPION HYDROBROMIDE	rxnorm
BUPROPION HYDROCHLORIDE	rxnorm
MYSIMBA	clinicaltrials
BUPROPION	clinicaltrials
BUPROPION HYDROBROMIDE	clinicaltrials
BUPROPION HYDROCHLORIDE	clinicaltrials
BW-323	clinicaltrials
WELLBUTRIN	clinicaltrials
APLENZIN	clinicaltrials
01ZG3TPX31	FDA SRS
DTXSID7022706	EPA CompTox Dashboard
435	DrugCentral
7135	Guide to Pharmacology
J283.224K	Nikkaji
50048392	BindingDB
BUPROPION	DailyMed
APLENZIN	rxnorm
WELLBUTRIN	rxnorm
CB7202445	ChemicalBook
DB01156	DrugBank
C06860	KEGG Ligand
CHEMBL894	ChEMBL
3219	ChEBI
SAM001246699	NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.