Dataset

Progesterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108706_F638 contains the MS2 mass spectrum of Progesterone with the InChIkey RJKFOVLPORLFTN-LEKSSAKUSA-N.

Chemical Info

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

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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_N108706_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:40:22.480213
MetadataModified	2025-02-08T18:46:46.401952
MetadataPublished	2022-04-07

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.