Dataset

Amisulpride; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001177 contains the MS mass spectrum of Amisulpride with the InChIkey NTJOBXMMWNYJFB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
SMILES CCN(C2)C(CC2)CNC(=O)c(c(OC)1)cc(c(N)c1)S(=O)(=O)CC
InChI Key NTJOBXMMWNYJFB-UHFFFAOYSA-N
Molecular Formula C17H27N3O4S
Exact Mass 369.172 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-WA001177
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    AMISULPRIDE rxnorm
    DAN-2163 clinicaltrials
    BARHEMSYS clinicaltrials
    AMISULPRIDE clinicaltrials
    SOLIAN clinicaltrials
    APD-421 clinicaltrials
    APD421 clinicaltrials
    HY-14545 MedChemExpress
    8110R61I4U FDA SRS
    DTXSID5042613 EPA CompTox Dashboard
    179 DrugCentral
    J18.603A Nikkaji
    81790 BindingDB
    AMISULPRIDE DailyMed
    BARHEMSYS rxnorm
    64045 ChEBI
    HMDB0015633 Human Metabolome Database
    DB06288 DrugBank
    12013930 PubChem: Drugs of the Future
    CHEMBL243712 ChEMBL
    SAM001246639 NIH Clinical Collection
    963 Guide to Pharmacology
    CB7312326 ChemicalBook
    MCULE-4239265090 Mcule
    SCHEMBL34126 SureChEMBL
    71675-85-9 ACToR
    2159 PubChem
    PD001316 ProbesDrugs
    LSM-1669 LINCS
    14852985 PubChem: Thomson Pharma
    Amisulpride Selleck
    PA162565877 PharmGKB
    1985473 eMolecules
    The data in this table is sourced from UniChem at EBI.