Dataset

Progesterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108759_63A5 contains the MS2 mass spectrum of Progesterone with the InChIkey RJKFOVLPORLFTN-LEKSSAKUSA-N.

Chemical Info

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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N108759_63A5
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:21.351410
MetadataModified 2024-01-11T09:36:21.497755
MetadataPublished 2022-04-09
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
J2.329I Nikkaji
2377 Guide to Pharmacology
PROGST CCDC
SCHEMBL7671 SureChEMBL
20023 Brenda
94796 Brenda
11588 Brenda
127076 Brenda
13473 Brenda
5917 Brenda
34377 Brenda
HMDB0001830 Human Metabolome Database
17026 Rhea
MTBLC17026 Metabolights
CB4224484 ChemicalBook
progesterone DailyMed
94795 Brenda
286 Brenda
29549914 eMolecules
8903 BindingDB
2279 DrugCentral
LMST02030159 LipidMaps
DTXSID3022370 EPA CompTox Dashboard
HY-N0437 MedChemExpress
PROGESTASERT clinicaltrials
PROMETRIUM clinicaltrials
ENDOMETRIN clinicaltrials
PROGESTERONE clinicaltrials
CRINONE clinicaltrials
UTROGESTAN clinicaltrials
PROMETRIUM rxnorm
ENDOMETRIN rxnorm
CRINONE rxnorm
PROGESTERONE, MICRONIZED rxnorm
PROGESTERONE rxnorm
ZINC000004428529 ZINC
229814 Brenda
229815 Brenda
CB15477619 ChemicalBook
PROGESTERONE DailyMed
CHEMBL103 ChEMBL
17026 ChEBI
SAM001247039 NIH Clinical Collection
STR PDBe
C00410 KEGG Ligand
12015027 PubChem: Drugs of the Future
DB00396 DrugBank
511682 eMolecules
The data in this table is sourced from UniChem at EBI.