Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001848 contains the MS mass spectrum of Amlodipine with the InChIkey HTIQEAQVCYTUBX-KRWDZBQOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H25ClN2O5/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/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
SMILES NCCOCC(N1)=C(C(=O)OCC)C(c(c2)c(Cl)ccc2)C(C(=O)OC)=C(C)1
InChI Key HTIQEAQVCYTUBX-KRWDZBQOSA-N
Molecular Formula C20H25ClN2O5
Exact Mass 408.145 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-WA001848
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09237 drugbank
    CHEBI:53796 chebi
    6UB rcsb_pdb
    CHEMBL2111097 chembl
    30994756 surechembl
    41283 surechembl
    9822750 pubchem
    0P6NLP6806 fdasrs
    PD008989 probes_and_drugs
    Molport-006-392-244 molport
    4099 drugcentral
    The data in this table is sourced from UniChem at EBI.