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
    CHEMBL39560 ChEMBL
    DB01614 DrugBank
    PMZ PDBe
    ACEPROMAZINE rxnorm
    ACEPROMAZINE MALEATE clinicaltrials
    ACEPROMAZINE clinicaltrials
    CB8920937 ChemicalBook
    DTXSID1022552 EPA CompTox Dashboard
    73 DrugCentral
    ZINC000000057198 ZINC
    J4.812G Nikkaji
    50131719 BindingDB
    ACEPROMAZINE MALEATE rxnorm
    15396826 PubChem: Thomson Pharma
    PD009645 ProbesDrugs
    54EJ303F0R FDA SRS
    PA164783999 PharmGKB
    61-00-7 ACToR
    SCHEMBL73018 SureChEMBL
    LSM-4609 LINCS
    35867465 eMolecules
    HMDB0015552 Human Metabolome Database
    44932 ChEBI
    6077 PubChem
    The data in this table is sourced from UniChem at EBI.