Dataset

Medroxyprogesterone; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA2218155BE0PH contains the MS2 mass spectrum of Medroxyprogesterone with the InChIkey FRQMUZJSZHZSGN-HBNHAYAOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
SMILES [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
InChI Key FRQMUZJSZHZSGN-HBNHAYAOSA-N
Molecular Formula C22H32O3
Exact Mass 344.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA2218155BE0PH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
Related Molecule
  • (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6715 chebi
    LMST02030176 lipidmaps
    CHEMBL1390 chembl
    37494 surechembl
    10631 pubchem
    PD003109 probes_and_drugs
    HMEPRG CCDC
    49193 brenda
    HSU1C9YRES fdasrs
    HMDB0001939 hmdb
    Molport-005-934-866 molport
    The data in this table is sourced from UniChem at EBI.