Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002077 contains the MS mass spectrum of Desmethylmaprotiline with the InChIkey IFHUOEQJTQWFGJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2
SMILES NCCCC(C3)(c21)c(c4)c(ccc4)C(C3)c(cccc2)1
InChI Key IFHUOEQJTQWFGJ-UHFFFAOYSA-N
Molecular Formula C19H21N
Exact Mass 263.167 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-WA002077
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MetadataPublished 2016-01-19
Related Molecule
  • 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
    119409 PubChem
    HMDB0060993 Human Metabolome Database
    J348.016J Nikkaji
    173873 ChEBI
    DTXSID80205839 EPA CompTox Dashboard
    CHEMBL3618118 ChEMBL
    G1GL9J364N FDA SRS
    SCHEMBL11682198 SureChEMBL
    15269135 PubChem: Thomson Pharma
    5721-37-9 ACToR
    The data in this table is sourced from UniChem at EBI.