Dataset

Desipramine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000580 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-WA000580
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Maintainer
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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
    DB01151 drugbank
    DSM rcsb_pdb
    CHEMBL72 chembl
    29379525 surechembl
    34384 surechembl
    2995 pubchem
    TG537D343B fdasrs
    DSM pdbe
    2399 gtopdb
    PD009775 probes_and_drugs
    122951 brenda
    12503 brenda
    4002 brenda
    75633 brenda
    78545 brenda
    CHEBI:47781 chebi
    HMDB0015282 hmdb
    Molport-002-051-955 molport
    812 drugcentral
    35229 bindingdb
    The data in this table is sourced from UniChem at EBI.