Dataset

17-phenyl trinor Prostaglandin F2-alpha ethyl amide; ESI-TOF; MS2; CE: 0.6458333; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC02_000408 contains the MS2 mass spectrum of 17-phenyl trinor Prostaglandin F2-alpha ethyl amide with the InChIkey AQOKCDNYWBIDND-FTOWTWDKSA-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)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1
SMILES CCN([H])C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C[C@@H]1O)=O
InChI Key AQOKCDNYWBIDND-FTOWTWDKSA-N
Exact Mass 415.272 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_000408
Version
Author
Maintainer
Language
MetadataPublished 2023-03-06
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00905 drugbank
    CHEBI:51230 chebi
    15M rcsb_pdb
    CHEMBL1200963 chembl
    24425 surechembl
    5311027 pubchem
    QXS94885MZ fdasrs
    15M pdbe
    PD009654 probes_and_drugs
    13626 brenda
    153380 brenda
    154363 brenda
    27704 brenda
    HMDB0015041 hmdb
    DTXSID30895042 comptox
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    Molport-006-167-657 molport
    371 drugcentral
    220120 bindingdb
    The data in this table is sourced from UniChem at EBI.