Dataset

O-Des[2-aminoethyl]-O-carboxymethyl dehydroamlodipine; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ500704 contains the MS2 mass spectrum of O-Des[2-aminoethyl]-O-carboxymethyl dehydroamlodipine with the InChIkey WYLSEDHKQJBUIA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H20ClNO7/c1-4-29-20(26)18-14(9-28-10-15(23)24)22-11(2)16(19(25)27-3)17(18)12-7-5-6-8-13(12)21/h5-8H,4,9-10H2,1-3H3,(H,23,24)
SMILES CCOC(=O)C1=C(C(=C(N=C1COCC(=O)O)C)C(=O)OC)C2=CC=CC=C2Cl
InChI Key WYLSEDHKQJBUIA-UHFFFAOYSA-N
Molecular Formula C20H20ClNO7
Exact Mass 421.093 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ500704
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MetadataPublished 2021-03-16
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14271878 PubChem
    113994-45-9 ACToR
    PD150573 ProbesDrugs
    CB52696149 ChemicalBook
    7DYI36G762 FDA SRS
    SCHEMBL18157028 SureChEMBL
    DTXSID50150625 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.