Dataset

Amlodipine metabolite M9

This MassBank record with Accession MSBNK-Eawag-EQ01154002 contains the MS2 mass spectrum of Amlodipine metabolite M9 with the InChIkey APZSGEHAFPIYQZ-UHFFFAOYSA-N.

Chemical Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01154002
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:14:45.273540
MetadataModified 2025-02-09T10:14:45.469965
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38Q8451QLU FDA SRS
PD117461 ProbesDrugs
SCHEMBL4632845 SureChEMBL
49838084 PubChem: Thomson Pharma
DTXSID70150622 EPA CompTox Dashboard
ZINC000022055502 ZINC
J1.658.639K Nikkaji
CB11565202 ChemicalBook
14271877 PubChem
The data in this table is sourced from UniChem at EBI.