Dataset

Bimatoprost; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01081701 contains the MS2 mass spectrum of Bimatoprost with the InChIkey AQOKCDNYWBIDND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)
SMILES CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O
InChI Key AQOKCDNYWBIDND-UHFFFAOYSA-N
Molecular Formula C25H37NO4
Exact Mass 415.272 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-EQ01081701
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MetadataPublished 2024-06-14
Related Molecule
  • 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]-N-ethylhept-5-enamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1767568 surechembl
    53393954 pubchem
    1958 gtopdb
    PD065445 probes_and_drugs
    PD165642 probes_and_drugs
    HMDB0244702 hmdb
    DTXSID70870030 comptox
    Molport-019-992-392 molport
    The data in this table is sourced from UniChem at EBI.