Dataset

Doxylamine

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

Chemical Info

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
MetadataCreated 2024-01-11T22:47:14.333443
MetadataModified 2024-01-11T22:47:14.502655
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
51380 ChEBI
DB00366 DrugBank
CHEMBL1004 ChEMBL
901808 eMolecules
MCULE-1561851137 Mcule
DTXSID1022970 EPA CompTox Dashboard
962 DrugCentral
DOXYLAMINE DailyMed
DOXYLAMINE SUCCINATE rxnorm
DOXYLAMINE rxnorm
95QB77JKPL FDA SRS
UNISOM rxnorm
DECAPRYN clinicaltrials
DOXYLAMINE SUCCINATE clinicaltrials
DOXYLAMINE clinicaltrials
UNISOM clinicaltrials
50239996 BindingDB
doxylamine DailyMed
HMDB0001936 Human Metabolome Database
CB6316736 ChemicalBook
SCHEMBL4709 SureChEMBL
PA449419 PharmGKB
469-21-6 ACToR
PD010224 ProbesDrugs
LSM-1563 LINCS
3162 PubChem
14872648 PubChem: Thomson Pharma
J5.925K Nikkaji
7171 Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.