Dataset

Moclobemide

This MassBank record with Accession MSBNK-Athens_Univ-AU227906 contains the MS2 mass spectrum of Moclobemide with the InChIkey YHXISWVBGDMDLQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
SMILES	c1cc(ccc1C(=O)NCCN2CCOCC2)Cl
InChI Key	YHXISWVBGDMDLQ-UHFFFAOYSA-N
Molecular Formula	C13H17ClN2O2
Exact Mass	268.098 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU227906
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:11.489477
MetadataModified	2024-01-11T09:49:11.642932
MetadataPublished	2018-12-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14750467	PubChem: Thomson Pharma
4235	PubChem
LSM-5247	LINCS
71320-77-9	ACToR
PJ0Y7AZB63	FDA SRS
PD003171	ProbesDrugs
PA452615	PharmGKB
moclobemide	Selleck
SCHEMBL49708	SureChEMBL
HMDB0015302	Human Metabolome Database
5037	Brenda
902145	eMolecules
ZINC000019606670	ZINC
CB0281564	ChemicalBook
MCULE-5300106938	Mcule
MOCLOBEMIDE	rxnorm
MOCLOBEMIDE	clinicaltrials
AURORIX	clinicaltrials
HY-B0534	MedChemExpress
15613	BindingDB
1825	DrugCentral
7428	Guide to Pharmacology
J19.047K	Nikkaji
83531	ChEBI
WEWPET	CCDC
DTXSID9040554	EPA CompTox Dashboard
CHEMBL86304	ChEMBL
12013032	PubChem: Drugs of the Future
SAM001246614	NIH Clinical Collection
DB01171	DrugBank
The data in this table is sourced from UniChem at EBI.