Dataset

Apomorphine

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

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

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
PA164781163	PharmGKB
SCHEMBL8541	SureChEMBL
58-00-4	ACToR
LSM-25611	LINCS
N21FAR7B4S	FDA SRS
KYNMOBI	clinicaltrials
6005	PubChem
PD010064	ProbesDrugs
14823961	PubChem: Thomson Pharma
14848260	PubChem: Thomson Pharma
J4.588H	Nikkaji
MCULE-3200317958	Mcule
DTXSID8022614	EPA CompTox Dashboard
VR040	clinicaltrials
ZINC000000009073	ZINC
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
UPRIMA	clinicaltrials
APOMORPHINE HYDROCHLORIDE	clinicaltrials
VR-040	clinicaltrials
228	DrugCentral
apomorphine	DailyMed
HMDB0014852	Human Metabolome Database
204689	Brenda
MTBLC48538	Metabolights
13241	Brenda
CHEMBL53	ChEMBL
33	Guide to Pharmacology
48538	ChEBI
DB00714	DrugBank
901400	eMolecules
The data in this table is sourced from UniChem at EBI.