Dataset

Etilefrin

This MassBank record with Accession MSBNK-Waters-WA001632 contains the MS mass spectrum of Etilefrin with the InChIkey SQVIAVUSQAWMKL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
SMILES CCNCC(O)c(c1)cc(O)cc1
InChI Key SQVIAVUSQAWMKL-UHFFFAOYSA-N
Molecular Formula C10H15NO2
Exact Mass 181.110 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-WA001632
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:59.726765
MetadataModified 2024-01-11T22:48:59.872440
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD009075 ProbesDrugs
ETILEFRIN clinicaltrials
ETILEFRINE clinicaltrials
15042077 PubChem: Thomson Pharma
LSM-1302 LINCS
709-55-7 ACToR
10128-36-6 ACToR
S-40032 clinicaltrials
CHEMBL86882 ChEMBL
901861 eMolecules
DTXSID1023029 EPA CompTox Dashboard
91518 ChEBI
ZB6F8MY53V FDA SRS
ETILEFRINE rxnorm
1101 DrugCentral
MCULE-2253455268 Mcule
J6.942F Nikkaji
SCHEMBL150802 SureChEMBL
MolPort-001-783-443 MolPort
97154 BindingDB
HMDB0252100 Human Metabolome Database
DB08985 DrugBank
3306 PubChem
The data in this table is sourced from UniChem at EBI.