Dataset

Minaprine

This MassBank record with Accession MSBNK-Waters-WA002057 contains the MS mass spectrum of Minaprine with the InChIkey LDMWSLGGVTVJPG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
SMILES O(C3)CCN(C3)CCNc(n2)c(C)cc(n2)c(c1)cccc1
InChI Key LDMWSLGGVTVJPG-UHFFFAOYSA-N
Molecular Formula C17H22N4O
Exact Mass 298.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:12.106234
MetadataModified 2024-01-11T22:46:12.299006
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4199 PubChem
PD009708 ProbesDrugs
00U7GX0NLM FDA SRS
14751646 PubChem: Thomson Pharma
25905-77-5 ACToR
PA164748351 PharmGKB
LSM-2037 LINCS
SCHEMBL49371 SureChEMBL
MORPRZ CCDC
J216.777H Nikkaji
DTXSID5048477 EPA CompTox Dashboard
50074289 BindingDB
MINAPRINE rxnorm
CB4686336 ChemicalBook
HY-B0884 MedChemExpress
MINAPRINE HYDROCHLORIDE rxnorm
1812 DrugCentral
ZINC000019796082 ZINC
HMDB0014943 Human Metabolome Database
DB00805 DrugBank
CHEMBL278819 ChEMBL
51038 ChEBI
The data in this table is sourced from UniChem at EBI.