Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002130 contains the MS mass spectrum of Amoxapine with the InChIkey QWGDMFLQWFTERH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
SMILES Clc(c4)cc(c(c4)2)C(=Nc(c3)c(ccc3)O2)N(C1)CCNC1
InChI Key QWGDMFLQWFTERH-UHFFFAOYSA-N
Molecular Formula C17H16ClN3O
Exact Mass 313.098 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-WA002130
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00543 drugbank
    CHEBI:2675 chebi
    CHEMBL1113 chembl
    29354942 surechembl
    29370074 surechembl
    29482386 surechembl
    33950 surechembl
    2170 pubchem
    R63VQ857OT fdasrs
    201 gtopdb
    PD000076 probes_and_drugs
    AMOXAP CCDC
    HMDB0014683 hmdb
    DTXSID7022598 comptox
    Molport-003-666-768 molport
    191 drugcentral
    22870 bindingdb
    The data in this table is sourced from UniChem at EBI.