Dataset

Dydrogesterone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU282705 contains the MS2 mass spectrum of Dydrogesterone with the InChIkey JGMOKGBVKVMRFX-HQZYFCCVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C
InChI Key JGMOKGBVKVMRFX-HQZYFCCVSA-N
Molecular Formula C21H28O2
Exact Mass 312.209 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-AU282705
Version
Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00378 drugbank
    CHEBI:31527 chebi
    CHEMBL1200853 chembl
    37703 surechembl
    9051 pubchem
    90I02KLE8K fdasrs
    PD010215 probes_and_drugs
    PGDEDO CCDC
    175621 brenda
    HMDB0014522 hmdb
    Molport-005-940-416 molport
    975 drugcentral
    The data in this table is sourced from UniChem at EBI.