Dataset

11-deoxy Prostaglandin F1-alpha; ESI-TOF; MS2; CE: 6.0000000; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC02_000591 contains the MS2 mass spectrum of 11-deoxy Prostaglandin F1-alpha with the InChIkey HYBPXYQCXNOTFK-DUSCRHDRSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19-/m0/s1
SMILES O[C@@H]1[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)CC1
InChI Key HYBPXYQCXNOTFK-DUSCRHDRSA-N
Exact Mass 340.261 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC02_000591
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MetadataPublished 2023-03-06
Related Molecule
  • 7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:165302 chebi
    LMFA03010068 lipidmaps
    3366567 surechembl
    5283069 pubchem
    PD021108 probes_and_drugs
    DTXSID101347757 comptox
    Molport-039-138-851 molport
    The data in this table is sourced from UniChem at EBI.