Dataset

Cortisone

This MassBank record with Accession MSBNK-Waters-WA000378 contains the MS mass spectrum of Cortisone with the InChIkey MFYSYFVPBJMHGN-ZPOLXVRWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
SMILES OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C2)C(=CC(=O)C2)C1
InChI Key MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Molecular Formula C21H28O5
Exact Mass 360.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000378
Version
Author
Maintainer
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MetadataCreated 2024-01-11T22:48:48.133943
MetadataModified 2025-02-09T20:27:30.533500
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1499 ChEMBL
SAM001246882 NIH Clinical Collection
16962 ChEBI
C00762 KEGG Ligand
13739 BindingDB
HY-17461 MedChemExpress
DHPRTO CCDC
DTXSID5022857 EPA CompTox Dashboard
LMST02030090 LipidMaps
5171 Guide to Pharmacology
J4.139D Nikkaji
104333 Brenda
SLM:000485357 SwissLipids
15292905 PubChem: Thomson Pharma
222786 PubChem
UQC PDBe
60020651 NMRShiftDB
PD002781 ProbesDrugs
V27W9254FZ FDA SRS
LSM-2965 LINCS
cortsn Recon
53-06-5 ACToR
29503844 eMolecules
CORTISONE clinicaltrials
493549 eMolecules
920 Brenda
DB14681 DrugBank
MTBLC16962 Metabolights
90707 Brenda
74689 Brenda
ZINC000004083557 ZINC
CB6413305 ChemicalBook
16962 Rhea
HMDB0002802 Human Metabolome Database
112028 Brenda
SCHEMBL4888 SureChEMBL
The data in this table is sourced from UniChem at EBI.