Dataset

Progesterone; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107571 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@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key RJKFOVLPORLFTN-LEKSSAKUSA-N
Molecular Formula C21H30O2
Exact Mass 314.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107571
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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
    5994 PubChem
    60020984 NMRShiftDB
    PD002656 ProbesDrugs
    progesterone Atlas
    4G7DS2Q64Y FDA SRS
    LSM-3452 LINCS
    14850243 PubChem: Thomson Pharma
    257630-50-5 ACToR
    PA451123 PharmGKB
    Progesterone(Prometrium) Selleck
    14874443 PubChem: Thomson Pharma
    prgstrn Recon
    511682 eMolecules
    SCHEMBL7671 SureChEMBL
    MTBLC17026 Metabolights
    ZINC000004428529 ZINC
    20023 Brenda
    94796 Brenda
    11588 Brenda
    94795 Brenda
    286 Brenda
    13473 Brenda
    5917 Brenda
    127076 Brenda
    HMDB0001830 Human Metabolome Database
    17026 Rhea
    CB4224484 ChemicalBook
    progesterone DailyMed
    34377 Brenda
    229815 Brenda
    CB15477619 ChemicalBook
    PROGESTERONE DailyMed
    PROGESTERONE rxnorm
    PROGESTERONE, MICRONIZED rxnorm
    CRINONE rxnorm
    ENDOMETRIN rxnorm
    PROMETRIUM rxnorm
    UTROGESTAN clinicaltrials
    CRINONE clinicaltrials
    PROGESTERONE clinicaltrials
    ENDOMETRIN clinicaltrials
    PROMETRIUM clinicaltrials
    PROGESTASERT clinicaltrials
    HY-N0437 MedChemExpress
    DTXSID3022370 EPA CompTox Dashboard
    LMST02030159 LipidMaps
    2279 DrugCentral
    2377 Guide to Pharmacology
    J2.329I Nikkaji
    PROGST CCDC
    8903 BindingDB
    229814 Brenda
    29549914 eMolecules
    CHEMBL103 ChEMBL
    SAM001247039 NIH Clinical Collection
    17026 ChEBI
    STR PDBe
    C00410 KEGG Ligand
    12015027 PubChem: Drugs of the Future
    DB00396 DrugBank
    The data in this table is sourced from UniChem at EBI.