Dataset

Medroxyprogesterone

This MassBank record with Accession MSBNK-Athens_Univ-AU239557 contains the MS2 mass spectrum of Medroxyprogesterone with the InChIkey FRQMUZJSZHZSGN-HBNHAYAOSA-N.

Chemical Info

InChI	InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
SMILES	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
InChI Key	FRQMUZJSZHZSGN-HBNHAYAOSA-N
Molecular Formula	C22H32O3
Exact Mass	344.235 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-Athens_Univ-AU239557
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T08:49:59.034420
MetadataModified	2025-02-08T19:08:01.310487
MetadataPublished	2019-03-29
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LMST02030176	LipidMaps
DTXSID0036508	EPA CompTox Dashboard
HY-B0648	MedChemExpress
HMEPRG	CCDC
J6.606K	Nikkaji
2879	Guide to Pharmacology
LSM-6029	LINCS
CHEMBL1390	ChEMBL
6715	ChEBI
SAM001246906	NIH Clinical Collection
C07119	KEGG Ligand
14875913	PubChem: Thomson Pharma
14851694	PubChem: Thomson Pharma
HSU1C9YRES	FDA SRS
PD003109	ProbesDrugs
10631	PubChem
520-85-4	ACToR
511314	eMolecules
ZINC000005763835	ZINC
CB3419654	ChemicalBook
HMDB0001939	Human Metabolome Database
PA450344	PharmGKB
49193	Brenda
SCHEMBL37494	SureChEMBL
The data in this table is sourced from UniChem at EBI.