Dataset

Acepromazine (oxide); LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002134 contains the MS mass spectrum of Acepromazine (oxide) with the InChIkey NOSIYYJFMPDDSA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
InChI Key NOSIYYJFMPDDSA-UHFFFAOYSA-N
Molecular Formula C19H22N2OS
Exact Mass 326.145 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-WA002134
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01614 drugbank
    PMZ rcsb_pdb
    CHEMBL39560 chembl
    29441481 surechembl
    29582179 surechembl
    73018 surechembl
    6077 pubchem
    54EJ303F0R fdasrs
    PMZ pdbe
    PD009645 probes_and_drugs
    CHEBI:44932 chebi
    HMDB0015552 hmdb
    DTXSID1022552 comptox
    Molport-004-964-897 molport
    73 drugcentral
    50131719 bindingdb
    The data in this table is sourced from UniChem at EBI.