Dataset

7-Hydroxyrisperidone

This MassBank record with Accession MSBNK-Waters-WA001032 contains the MS mass spectrum of 7-Hydroxyrisperidone with the InChIkey ABWPQNZPAOAQSG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3
SMILES OC(C5)CN(C(C5)=1)C(=O)C(CCN(C4)CCC(C4)c(n2)c(c3)c(cc(F)c3)o2)=C(C)N1
InChI Key ABWPQNZPAOAQSG-UHFFFAOYSA-N
Molecular Formula C23H27FN4O3
Exact Mass 426.207 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-WA001032
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:03.481745
MetadataModified 2024-01-11T22:48:03.635379
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
67 Guide to Pharmacology
10397621 eMolecules
J1.861.057D Nikkaji
HMDB0247256 Human Metabolome Database
475100 PubChem
CB6479426 ChemicalBook
SCHEMBL206059 SureChEMBL
188072 ChEBI
PD049968 ProbesDrugs
DTXSID50332989 EPA CompTox Dashboard
CHEMBL3542429 ChEMBL
The data in this table is sourced from UniChem at EBI.