Dataset

Medroxyprogesteroneacetate; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU281304 contains the MS2 mass spectrum of Medroxyprogesteroneacetate with the InChIkey PSGAAPLEWMOORI-PEINSRQWSA-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/t14-,18+,19-,20-,22+,23-,24-/m0/s1
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
InChI Key PSGAAPLEWMOORI-PEINSRQWSA-N
Molecular Formula C24H34O4
Exact Mass 386.246 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-Athens_Univ-AU281304
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MetadataPublished 2019-05-31
Related Molecule
  • [(6S,8R,9S,10R,13S,14S,17R)-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
    DEPO-PROVERA rxnorm
    MEDROXYPROGESTERONE ACETATE rxnorm
    MACXPR CCDC
    MEDROXYPROGESTERONE rxnorm
    J5.247G Nikkaji
    CURRETAB clinicaltrials
    CYCRIN clinicaltrials
    TV-46046 clinicaltrials
    DEPO-PROVERA clinicaltrials
    DEPO-SUBQ PROVERA 104 clinicaltrials
    1659 DrugCentral
    PROVERA clinicaltrials
    DTXSID0025527 EPA CompTox Dashboard
    MEDROXYPROGESTERONE 17-ACETATE clinicaltrials
    MEDROXYPROGESTERONE ACETATE clinicaltrials
    HY-B0469 MedChemExpress
    MEDROXYPROGESTERONE ACETATE DailyMed
    PROVERA rxnorm
    50067678 BindingDB
    C08150 KEGG Ligand
    CHEMBL717 ChEMBL
    SAM002564220 NIH Clinical Collection
    6716 ChEBI
    ZINC000005029557 ZINC
    medroxyprogesterone acetate DailyMed
    CB8130110 ChemicalBook
    14853921 PubChem: Thomson Pharma
    6279 PubChem
    PD003108 ProbesDrugs
    C2QI4IOI2G FDA SRS
    14780490 PubChem: Thomson Pharma
    LSM-5882 LINCS
    DB00603 DrugBank
    135843-32-2 ACToR
    Medroxyprogesterone-acetate Selleck
    SCHEMBL4276 SureChEMBL
    30512639 eMolecules
    511318 eMolecules
    The data in this table is sourced from UniChem at EBI.