Dataset

Desipramine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA000579 contains the MS mass spectrum of Desipramine with the InChIkey HCYAFALTSJYZDH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
SMILES CNCCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
InChI Key HCYAFALTSJYZDH-UHFFFAOYSA-N
Molecular Formula C18H22N2
Exact Mass 266.178 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-WA000579
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DESIPRAMINE DailyMed
    DESIPRAMINE rxnorm
    DESIPRAMINE HYDROCHLORIDE rxnorm
    NORPRAMIN rxnorm
    PERTOFRANE clinicaltrials
    DESIPRAMINE clinicaltrials
    35229 BindingDB
    DESIPRAMINE HYDROCHLORIDE clinicaltrials
    NORPRAMIN clinicaltrials
    DTXSID6022896 EPA CompTox Dashboard
    812 DrugCentral
    ZINC000001530611 ZINC
    J8.596K Nikkaji
    CB3257775 ChemicalBook
    12503 Brenda
    C06943 KEGG Ligand
    DB01151 DrugBank
    CHEMBL72 ChEMBL
    2399 Guide to Pharmacology
    DSM PDBe
    desipramine DailyMed
    75633 Brenda
    HMDB0015282 Human Metabolome Database
    122951 Brenda
    78545 Brenda
    4002 Brenda
    47781 ChEBI
    MCULE-5904286906 Mcule
    14774838 PubChem: Thomson Pharma
    PA449233 PharmGKB
    SCHEMBL34384 SureChEMBL
    LSM-3351 LINCS
    50-47-5 ACToR
    2995 PubChem
    TG537D343B FDA SRS
    PD009775 ProbesDrugs
    1883445 eMolecules
    The data in this table is sourced from UniChem at EBI.