Dataset

Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA01737 contains the MS2 mass spectrum of Progesterone with the InChIkey RJKFOVLPORLFTN-KKINBUFLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21+/m0/s1
SMILES CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
InChI Key RJKFOVLPORLFTN-KKINBUFLSA-N
Molecular Formula C21H30O2
Exact Mass 314.472 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-RIKEN_NPDepo-NGA01737
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Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (10R,13S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10308283 surechembl
    44135692 pubchem
    The data in this table is sourced from UniChem at EBI.