Dataset

Corticosterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103226_B8BB contains the MS2 mass spectrum of Corticosterone with the InChIkey OMFXVFTZEKFJBZ-HJTSIMOOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
InChI Key OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Molecular Formula C21H30O4
Exact Mass 346.214 g/mol

Data and Resources

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_N103226_B8BB
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:38:24.884692
MetadataModified 2025-02-08T18:50:11.633114
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
53834312 PubChem: Thomson Pharma
60020655 NMRShiftDB
PD002785 ProbesDrugs
LSM-5814 LINCS
crtstrn Recon
50-22-6 ACToR
W980KJ009P FDA SRS
493533 eMolecules
5753 PubChem
MCULE-1874567277 Mcule
SCHEMBL22612 SureChEMBL
105741 Brenda
HMDB0001547 Human Metabolome Database
16827 Rhea
CB7418589 ChemicalBook
ZINC000013513592 ZINC
1103 Brenda
133126 Brenda
74691 Brenda
105740 Brenda
90650 Brenda
MTBLC16827 Metabolights
16827 ChEBI
C0R PDBe
C02140 KEGG Ligand
DB04652 DrugBank
CHEMBL110739 ChEMBL
HY-B1618 MedChemExpress
DTXSID6022474 EPA CompTox Dashboard
LMST02030186 LipidMaps
2869 Guide to Pharmacology
J5.239F Nikkaji
CORTIC CCDC
50170653 BindingDB
CORTICOSTERONE clinicaltrials
48438 Brenda
SAM001246879 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.