Dataset

9-OH-Risperidone

This MassBank record with Accession MSBNK-Athens_Univ-AU156801 contains the MS2 mass spectrum of 9-OH-Risperidone with the InChIkey PMXMIIMHBWHSKN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
SMILES	CC1=C(CCN2CCC(CC2)C2=NOC3=CC(F)=CC=C23)C(=O)N2CCCC(O)C2=N1
InChI Key	PMXMIIMHBWHSKN-UHFFFAOYSA-N
Molecular Formula	C23H27FN4O3
Exact Mass	426.207 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156801
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:44:53.512415
MetadataModified	2024-01-11T09:44:53.666501
MetadataPublished	2015-12-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
4137	DrugCentral
838F01T721	FDA SRS
MCULE-5597043685	Mcule
LSM-46209	LINCS
PALIPERIDONE	clinicaltrials
RO76477	clinicaltrials
RO-76477	clinicaltrials
INVEGA	clinicaltrials
R-76477	clinicaltrials
HY-A0019	MedChemExpress
INVEGA	rxnorm
PALIPERIDONE	rxnorm
PALIPERIDONE	DailyMed
50252513	BindingDB
CB9222359	ChemicalBook
HMDB0015396	Human Metabolome Database
PA163518919	PharmGKB
paliperidone	DailyMed
PD009928	ProbesDrugs
CB2649179	ChemicalBook
115237	PubChem
14905143	PubChem: Thomson Pharma
130049-84-2	ACToR
SCHEMBL436689	SureChEMBL
7258	Guide to Pharmacology
J508.304D	Nikkaji
83804	ChEBI
DB01267	DrugBank
CHEMBL1621	ChEMBL
22395187	PubChem: Drugs of the Future
8321735	eMolecules
The data in this table is sourced from UniChem at EBI.