Dataset

Apomorphine

This MassBank record with Accession MSBNK-Waters-WA001977 contains the MS mass spectrum of Apomorphine with the InChIkey VMWNQDUVQKEIOC-CYBMUJFWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
SMILES CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI Key VMWNQDUVQKEIOC-CYBMUJFWSA-N
Molecular Formula C17H17NO2
Exact Mass 267.126 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-WA001977
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:31.357161
MetadataModified 2024-01-11T22:49:31.541470
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL53 ChEMBL
33 Guide to Pharmacology
48538 ChEBI
DB00714 DrugBank
901400 eMolecules
6005 PubChem
PD010064 ProbesDrugs
KYNMOBI clinicaltrials
N21FAR7B4S FDA SRS
LSM-25611 LINCS
14823961 PubChem: Thomson Pharma
SCHEMBL8541 SureChEMBL
PA164781163 PharmGKB
14848260 PubChem: Thomson Pharma
58-00-4 ACToR
HMDB0014852 Human Metabolome Database
apomorphine DailyMed
204689 Brenda
MTBLC48538 Metabolights
13241 Brenda
J4.588H Nikkaji
MCULE-3200317958 Mcule
29644 BindingDB
50001955 BindingDB
APOMORPHINE DailyMed
APOKYN rxnorm
APOMORPHINE HYDROCHLORIDE rxnorm
APOMORPHINE rxnorm
OR9 PDBe
BRITAJECT clinicaltrials
APL-130277 clinicaltrials
APOKINON clinicaltrials
APOKYN clinicaltrials
APOMINE clinicaltrials
APOMORPHINE clinicaltrials
APOMORPHINE HYDROCHLORIDE clinicaltrials
UPRIMA clinicaltrials
VR-040 clinicaltrials
VR040 clinicaltrials
DTXSID8022614 EPA CompTox Dashboard
228 DrugCentral
ZINC000000009073 ZINC
The data in this table is sourced from UniChem at EBI.