Dataset

Minaprine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002059 contains the MS mass spectrum of Minaprine with the InChIkey LDMWSLGGVTVJPG-UHFFFAOYSA-N.

Chemical Information

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-WA002059
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
    • 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
    ZINC000019796082 ZINC
    HMDB0014943 Human Metabolome Database
    SCHEMBL49371 SureChEMBL
    CHEMBL278819 ChEMBL
    DB00805 DrugBank
    51038 ChEBI
    MINAPRINE rxnorm
    CB4686336 ChemicalBook
    HY-B0884 MedChemExpress
    DTXSID5048477 EPA CompTox Dashboard
    1812 DrugCentral
    J216.777H Nikkaji
    MORPRZ CCDC
    50074289 BindingDB
    MINAPRINE HYDROCHLORIDE rxnorm
    The data in this table is sourced from UniChem at EBI.