Dataset

Alverine

This MassBank record with Accession MSBNK-Eawag-EQ01163301 contains the MS2 mass spectrum of Alverine with the InChIkey ZPFXAOWNKLFJDN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
SMILES CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
InChI Key ZPFXAOWNKLFJDN-UHFFFAOYSA-N
Molecular Formula C20H27N
Exact Mass 281.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01163301
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:08:43.413559
MetadataModified 2025-02-09T10:08:43.604365
MetadataPublished 2024-01-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL253371 ChEMBL
DB01616 DrugBank
518413 ChEBI
SPASMONAL clinicaltrials
SPASMAVERINE clinicaltrials
ALVERINE clinicaltrials
ZINC000001481966 ZINC
142 DrugCentral
ALVERINE CITRATE clinicaltrials
J5.855F Nikkaji
ALVERINE rxnorm
ALVERINE CITRATE rxnorm
CB5333673 ChemicalBook
37636 BindingDB
DTXSID0048557 EPA CompTox Dashboard
PD009447 ProbesDrugs
46TIR1560O FDA SRS
LSM-3988 LINCS
3678 PubChem
14972958 PubChem: Thomson Pharma
SCHEMBL83067 SureChEMBL
150-59-4 ACToR
618386 eMolecules
MCULE-3553088186 Mcule
PA164764505 PharmGKB
HMDB0015554 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.