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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DUPHASTON clinicaltrials
    DYDROGESTERONE clinicaltrials
    HY-B0257A MedChemExpress
    DTXSID1022974 EPA CompTox Dashboard
    DYDROGESTERONE rxnorm
    2878 Guide to Pharmacology
    J3.272G Nikkaji
    PGDEDO CCDC
    975 DrugCentral
    CHEMBL1200853 ChEMBL
    31527 ChEBI
    DB00378 DrugBank
    9051 PubChem
    PD010215 ProbesDrugs
    90I02KLE8K FDA SRS
    LSM-3538 LINCS
    14898944 PubChem: Thomson Pharma
    152-62-5 ACToR
    15444771 PubChem: Thomson Pharma
    SCHEMBL37703 SureChEMBL
    31228827 eMolecules
    CB5275115 ChemicalBook
    ZINC000003875998 ZINC
    PA164745443 PharmGKB
    175621 Brenda
    HMDB0014522 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.