Dataset

Ezetimibe; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01069452 contains the MS2 mass spectrum of Ezetimibe with the InChIkey OLNTVTPDXPETLC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2
SMILES C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O
InChI Key OLNTVTPDXPETLC-UHFFFAOYSA-N
Molecular Formula C24H21F2NO3
Exact Mass 409.149 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-EQ01069452
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MetadataPublished 2024-06-14
Related Molecule
  • 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.480.726D Nikkaji
    87018 BindingDB
    CHEMBL1455301 ChEMBL
    4979942 PubChem
    57413845 PubChem: Thomson Pharma
    182271 ChEBI
    PD055738 ProbesDrugs
    SCHEMBL524530 SureChEMBL
    MCULE-8480059550 Mcule
    The data in this table is sourced from UniChem at EBI.