Dataset

Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013505 contains the MS2 mass spectrum of Medroxyprogesterone-17-acetate with the InChIkey PSGAAPLEWMOORI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
SMILES CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
InChI Key PSGAAPLEWMOORI-UHFFFAOYSA-N
Molecular Formula C24H34O4
Exact Mass 386.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013505
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Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • (17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14262777 surechembl
    4042 pubchem
    PD066022 probes_and_drugs
    5994 brenda
    HMDB0248561 hmdb
    86680 bindingdb
    The data in this table is sourced from UniChem at EBI.