Dataset

Deprenyl

This MassBank record with Accession MSBNK-Athens_Univ-AU211903 contains the MS2 mass spectrum of Deprenyl with the InChIkey MEZLKOACVSPNER-GFCCVEGCSA-N.

Chemical Info

InChI	InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
SMILES	C[C@H](CC1=CC=CC=C1)N(C)CC#C
InChI Key	MEZLKOACVSPNER-GFCCVEGCSA-N
Molecular Formula	C13H17N
Exact Mass	187.136 g/mol

Data and Resources

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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-AU211903
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:51.475874
MetadataModified	2025-02-08T18:57:50.528476
MetadataPublished	2015-12-05

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL972	ChEMBL
9086	ChEBI
DB01037	DrugBank
C07245	KEGG Ligand
2429	DrugCentral
6639	Guide to Pharmacology
J34.132K	Nikkaji
DTXSID6023575	EPA CompTox Dashboard
SELEGILINE HYDROCHLORIDE	clinicaltrials
ELDEPRYL	clinicaltrials
EMSAM	clinicaltrials
ZELAPAR	clinicaltrials
SELEGILINE	clinicaltrials
CB2137450	ChemicalBook
EMSAM	rxnorm
SELEGILINE HYDROCHLORIDE	rxnorm
ELDEPRYL	rxnorm
SELEGILINE	rxnorm
ZELAPAR	rxnorm
15579	BindingDB
SELEGILINE	DailyMed
14772861	PubChem: Thomson Pharma
26757	PubChem
PD013116	ProbesDrugs
2K1V7GP655	FDA SRS
14797266	PubChem: Thomson Pharma
14611-51-9	ACToR
PA451316	PharmGKB
LSM-5920	LINCS
877276	eMolecules
36352	Brenda
selegiline	DailyMed
MTBLC9086	Metabolights
10327	Brenda
174639	Brenda
4383	Brenda
163217	Brenda
25451	Brenda
ZINC000019632633	ZINC
107161	Brenda
SCHEMBL22232	SureChEMBL
The data in this table is sourced from UniChem at EBI.