Dataset

Cortisone

This MassBank record with Accession MSBNK-Waters-WA000385 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-WA000385
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:06.245912
MetadataModified 2024-01-11T22:49:06.420394
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1499 ChEMBL
16962 ChEBI
SAM001246882 NIH Clinical Collection
C00762 KEGG Ligand
J4.139D Nikkaji
5171 Guide to Pharmacology
HY-17461 MedChemExpress
13739 BindingDB
ZINC000004083557 ZINC
LMST02030090 LipidMaps
DTXSID5022857 EPA CompTox Dashboard
DHPRTO CCDC
104333 Brenda
DB14681 DrugBank
SLM:000485357 SwissLipids
CB6413305 ChemicalBook
16962 Rhea
HMDB0002802 Human Metabolome Database
90707 Brenda
112028 Brenda
920 Brenda
74689 Brenda
MTBLC16962 Metabolights
15292905 PubChem: Thomson Pharma
222786 PubChem
UQC PDBe
60020651 NMRShiftDB
PD002781 ProbesDrugs
V27W9254FZ FDA SRS
LSM-2965 LINCS
cortsn Recon
53-06-5 ACToR
SCHEMBL4888 SureChEMBL
29503844 eMolecules
CORTISONE clinicaltrials
493549 eMolecules
The data in this table is sourced from UniChem at EBI.