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
    PD000076 ProbesDrugs
    R63VQ857OT FDA SRS
    LSM-2021 LINCS
    14950373 PubChem: Thomson Pharma
    SCHEMBL33950 SureChEMBL
    PA448405 PharmGKB
    14028-44-5 ACToR
    533809 eMolecules
    HMDB0014683 Human Metabolome Database
    amoxapine DailyMed
    CB5375947 ChemicalBook
    MCULE-9583761109 Mcule
    2170 PubChem
    DB00543 DrugBank
    12013426 PubChem: Drugs of the Future
    CHEMBL1113 ChEMBL
    2675 ChEBI
    SAM002564189 NIH Clinical Collection
    201 Guide to Pharmacology
    AMOXAPINE DailyMed
    AMOXAPINE rxnorm
    AMOXAPINE clinicaltrials
    ASENDIN clinicaltrials
    HY-B0991 MedChemExpress
    22870 BindingDB
    191 DrugCentral
    ZINC000000000931 ZINC
    J3.129A Nikkaji
    AMOXAP CCDC
    DTXSID7022598 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.