Dataset

Maprotiline; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002083 contains the MS mass spectrum of Maprotiline with the InChIkey QSLMDECMDJKHMQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
SMILES CNCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
InChI Key QSLMDECMDJKHMQ-UHFFFAOYSA-N
Molecular Formula C20H23N
Exact Mass 277.183 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-WA002083
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MAPROTILINE DailyMed
    MAPROTILINE rxnorm
    MAPROTILINE HYDROCHLORIDE rxnorm
    MAPROTILINE HYDROCHLORIDE clinicaltrials
    LUDIOMIL clinicaltrials
    MAPROTILINE clinicaltrials
    35228 BindingDB
    DTXSID7045029 EPA CompTox Dashboard
    50101973 BindingDB
    1634 DrugCentral
    ZINC000001530688 ZINC
    J9.818C Nikkaji
    6690 ChEBI
    C07107 KEGG Ligand
    CHEMBL21731 ChEMBL
    2402 Guide to Pharmacology
    DB00934 DrugBank
    902085 eMolecules
    PD009633 ProbesDrugs
    2U1W68TROF FDA SRS
    LSM-2043 LINCS
    14775197 PubChem: Thomson Pharma
    10262-69-8 ACToR
    PA450322 PharmGKB
    SCHEMBL33993 SureChEMBL
    34575 Brenda
    HMDB0015069 Human Metabolome Database
    maprotiline DailyMed
    4011 PubChem
    The data in this table is sourced from UniChem at EBI.