Dataset

Amlodipine metabolite M9; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01154006 contains the MS2 mass spectrum of Amlodipine metabolite M9 with the InChIkey APZSGEHAFPIYQZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8H,4,9-11,22H2,1-3H3
SMILES CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl
InChI Key APZSGEHAFPIYQZ-UHFFFAOYSA-N
Molecular Formula C20H23ClN2O5
Exact Mass 406.130 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-EQ01154006
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MetadataPublished 2024-05-08
Related Molecule
  • 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29470061 surechembl
    30007440 surechembl
    4632845 surechembl
    14271877 pubchem
    38Q8451QLU fdasrs
    PD117461 probes_and_drugs
    Molport-019-903-578 molport
    The data in this table is sourced from UniChem at EBI.