Dataset

Desacetyl-Diltiazem; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01080602 contains the MS2 mass spectrum of Desacetyl-Diltiazem with the InChIkey NZHUXMZTSSZXSB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3
SMILES CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC
InChI Key NZHUXMZTSSZXSB-UHFFFAOYSA-N
Molecular Formula C20H24N2O3S
Exact Mass 372.151 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01080602
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MetadataPublished 2024-06-14
Related Molecule
  • 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL111670 chembl
    7348976 surechembl
    11068728 pubchem
    The data in this table is sourced from UniChem at EBI.