Dataset

4-Hydroxypropranolol

This MassBank record with Accession MSBNK-Waters-WA002924 contains the MS mass spectrum of 4-Hydroxypropranolol with the InChIkey CWEPACWBWIOYID-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
SMILES CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1
InChI Key CWEPACWBWIOYID-UHFFFAOYSA-N
Molecular Formula C16H21NO3
Exact Mass 275.152 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-WA002924
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:51.824186
MetadataModified 2024-01-11T22:48:52.013526
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1137 ChEMBL
91565 PubChem
14872805 PubChem: Thomson Pharma
10476-53-6 ACToR
PD044965 ProbesDrugs
J275.280H Nikkaji
2449QP4SVP FDA SRS
50405147 BindingDB
168939 ChEBI
DTXSID70893062 EPA CompTox Dashboard
HMDB0060989 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.