Dataset

Progesterone; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-CH3]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108758_5CB7 contains the MS2 mass spectrum of Progesterone with the InChIkey RJKFOVLPORLFTN-LEKSSAKUSA-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)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI Key RJKFOVLPORLFTN-LEKSSAKUSA-N
Molecular Formula C21H30O2
Exact Mass 314.225 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-Antwerp_Univ-METOX_N108758_5CB7
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Author
Maintainer
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MetadataPublished 2022-04-09
Related Molecule
  • (8S,9S,10R,13S,14S,17S)-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
    DB00396 drugbank
    CHEBI:17026 chebi
    LMST02030159 lipidmaps
    STR rcsb_pdb
    CHEMBL103 chembl
    7671 surechembl
    5994 pubchem
    4G7DS2Q64Y fdasrs
    PD002656 probes_and_drugs
    PROGST CCDC
    11588 brenda
    127076 brenda
    13473 brenda
    189624 brenda
    189703 brenda
    20023 brenda
    229814 brenda
    229815 brenda
    286 brenda
    34377 brenda
    5917 brenda
    67652 brenda
    94795 brenda
    94796 brenda
    HMDB0001830 hmdb
    Molport-001-794-643 molport
    2279 drugcentral
    8903 bindingdb
    The data in this table is sourced from UniChem at EBI.