Dataset

Dextromethorphan

This MassBank record with Accession MSBNK-Waters-WA001699 contains the MS mass spectrum of Dextromethorphan with the InChIkey MKXZASYAUGDDCJ-NJAFHUGGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
SMILES COc(c4)cc(c(c4)1)C(C3)(C2)C([H])(CCC3)C(N(C)C2)C1
InChI Key MKXZASYAUGDDCJ-NJAFHUGGSA-N
Molecular Formula C18H25NO
Exact Mass 271.194 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-WA001699
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:56.305585
MetadataModified 2025-02-09T20:25:30.645147
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5360696 PubChem
PD009985 ProbesDrugs
7355X3ROTS FDA SRS
LSM-2726 LINCS
14750569 PubChem: Thomson Pharma
PA449273 PharmGKB
15197408 PubChem: Thomson Pharma
125-71-3 ACToR
SCHEMBL29949 SureChEMBL
ZINC000003201907 ZINC
MTBLC92579 Metabolights
24585 Brenda
dextromethorphan DailyMed
DB00514 DrugBank
CHEMBL52440 ChEMBL
NUEDEXTA clinicaltrials
DELSYM clinicaltrials
DEUDEXTROMETHORPHAN HYDROBROMIDE clinicaltrials
DEUDEXTROMETHORPHAN clinicaltrials
DEXTROMETHORPHAN POLISTIREX clinicaltrials
DEXTROMETHORPHAN HYDROBROMIDE MONOHYDRATE clinicaltrials
DEXTROMETHORPHAN HYDROBROMIDE clinicaltrials
DEXTROMETHORPHAN clinicaltrials
MTBLC4470 Metabolights
4470 ChEBI
DEXTROMETHORPHAN POLISTIREX rxnorm
DEXTROMETHORPHAN rxnorm
DELSYM rxnorm
50366613 BindingDB
DEXTROMETHORPHAN HYDROBROMIDE rxnorm
DEXTROMETHORPHAN DailyMed
DTXSID3022908 EPA CompTox Dashboard
XAPTAK CCDC
6953 Guide to Pharmacology
842 DrugCentral
The data in this table is sourced from UniChem at EBI.