Dataset

7-Hydroxyrisperidone; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001034 contains the MS mass spectrum of 7-Hydroxyrisperidone with the InChIkey ABWPQNZPAOAQSG-UHFFFAOYSA-N.

Chemical Information

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-WA001034
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:188072 chebi
    CHEMBL3542429 chembl
    206059 surechembl
    475100 pubchem
    67 gtopdb
    PD049968 probes_and_drugs
    HMDB0247256 hmdb
    The data in this table is sourced from UniChem at EBI.