Dataset

Amisulpride N-Oxide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU214301 contains the MS2 mass spectrum of Amisulpride N-Oxide with the InChIkey LLIKIPAUZJTRGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
SMILES CC[N+]1([O-])CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC
InChI Key LLIKIPAUZJTRGB-UHFFFAOYSA-N
Molecular Formula C17H27N3O5S
Exact Mass 385.167 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU214301
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MetadataPublished 2015-12-05
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    167797 ChEBI
    DTXSID60747025 EPA CompTox Dashboard
    71313372 PubChem
    PD166817 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.