Dataset

Medroxyprogesterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100706_FB57 contains the MS2 mass spectrum of Medroxyprogesterone with the InChIkey FRQMUZJSZHZSGN-NJMUXRGYSA-N.

Chemical Info

molecular Image
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+/m1/s1
SMILES CC1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
InChI Key FRQMUZJSZHZSGN-NJMUXRGYSA-N
Molecular Formula C22H32O3
Exact Mass 344.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100706_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:21.200778
MetadataModified 2024-01-11T09:29:21.404256
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
203441 PubChem
J66.997K Nikkaji
SCHEMBL4877448 SureChEMBL
14423-24-6 ACToR
The data in this table is sourced from UniChem at EBI.