Dataset

Doxylamine; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000559 contains the MS mass spectrum of Doxylamine with the InChIkey HCFDWZZGGLSKEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
SMILES CN(C)CCOC(C)(c(c2)cccc2)c(c1)nccc1
InChI Key HCFDWZZGGLSKEP-UHFFFAOYSA-N
Molecular Formula C17H22N2O
Exact Mass 270.173 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-WA000559
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4709 SureChEMBL
    469-21-6 ACToR
    14872648 PubChem: Thomson Pharma
    LSM-1563 LINCS
    3162 PubChem
    PD010224 ProbesDrugs
    PA449419 PharmGKB
    901808 eMolecules
    doxylamine DailyMed
    HMDB0001936 Human Metabolome Database
    962 DrugCentral
    7171 Guide to Pharmacology
    MCULE-1561851137 Mcule
    J5.925K Nikkaji
    95QB77JKPL FDA SRS
    UNISOM clinicaltrials
    DOXYLAMINE clinicaltrials
    DOXYLAMINE SUCCINATE clinicaltrials
    DECAPRYN clinicaltrials
    UNISOM rxnorm
    DOXYLAMINE rxnorm
    DOXYLAMINE SUCCINATE rxnorm
    50239996 BindingDB
    DOXYLAMINE DailyMed
    DTXSID1022970 EPA CompTox Dashboard
    CB6316736 ChemicalBook
    CHEMBL1004 ChEMBL
    DB00366 DrugBank
    51380 ChEBI
    The data in this table is sourced from UniChem at EBI.