Dataset

Isoprenaline

This MassBank record with Accession MSBNK-Waters-WA002715 contains the MS mass spectrum of Isoprenaline with the InChIkey JWZZKOKVBUJMES-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
SMILES CC(C)NCC(O)c(c1)cc(O)c(O)c1
InChI Key JWZZKOKVBUJMES-UHFFFAOYSA-N
Molecular Formula C11H17NO3
Exact Mass 211.121 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-WA002715
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:43:49.428689
MetadataModified 2025-02-09T20:21:24.650142
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB01064 DrugBank
CHEMBL434 ChEMBL
536 Guide to Pharmacology
C07056 KEGG Ligand
ISOPROTERENOL HYDROCHLORIDE rxnorm
ISOPROTERENOL SULFATE rxnorm
CB3854910 ChemicalBook
EUSPIRAN clinicaltrials
ISOPROTERENOL SULFATE clinicaltrials
ISUPREL clinicaltrials
ISOPRENALINE clinicaltrials
ISOPRENALINE HYDROCHLORIDE clinicaltrials
ISOPRENALINE SULFATE clinicaltrials
ISOPROTERENOL clinicaltrials
ISOPROTERENOL HYDROCHLORIDE clinicaltrials
NOVODRIN clinicaltrials
MEDIHALER-ISO clinicaltrials
AEROLONE clinicaltrials
L628TT009W FDA SRS
DTXSID4023175 EPA CompTox Dashboard
1499 DrugCentral
J28.477G Nikkaji
25392 BindingDB
CB0636388 ChemicalBook
ISOPROTERENOL DailyMed
ISOPROTERENOL rxnorm
ISUPREL rxnorm
136281 Brenda
HMDB0015197 Human Metabolome Database
isoproterenol DailyMed
1682 Brenda
23437 Brenda
147680 Brenda
114655 Brenda
9595 Brenda
MCULE-6061231962 Mcule
3779 PubChem
14748912 PubChem: Thomson Pharma
PD009570 ProbesDrugs
64317 ChEBI
LSM-4311 LINCS
PA450121 PharmGKB
149-53-1 ACToR
2964-04-7 ACToR
SCHEMBL4165 SureChEMBL
7683-59-2 ACToR
901993 eMolecules
The data in this table is sourced from UniChem at EBI.