Dataset

Corticosterone

This MassBank record with Accession MSBNK-Waters-WA001125 contains the MS mass spectrum of Corticosterone with the InChIkey OMFXVFTZEKFJBZ-HJTSIMOOSA-N.

Chemical Info

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	OCC(=O)C(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	OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Molecular Formula	C21H30O4
Exact Mass	346.214 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001125
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:08.912524
MetadataModified	2024-01-11T22:48:09.077594
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000013513592	ZINC
CORTICOSTERONE	clinicaltrials
HY-B1618	MedChemExpress
LMST02030186	LipidMaps
DTXSID6022474	EPA CompTox Dashboard
50170653	BindingDB
SAM001246879	NIH Clinical Collection
48438	Brenda
16827	Rhea
HMDB0001547	Human Metabolome Database
105741	Brenda
CB7418589	ChemicalBook
MTBLC16827	Metabolights
133126	Brenda
74691	Brenda
105740	Brenda
90650	Brenda
1103	Brenda
53834312	PubChem: Thomson Pharma
60020655	NMRShiftDB
PD002785	ProbesDrugs
LSM-5814	LINCS
crtstrn	Recon
50-22-6	ACToR
W980KJ009P	FDA SRS
SCHEMBL22612	SureChEMBL
MCULE-1874567277	Mcule
5753	PubChem
CORTIC	CCDC
J5.239F	Nikkaji
2869	Guide to Pharmacology
DB04652	DrugBank
CHEMBL110739	ChEMBL
C02140	KEGG Ligand
C0R	PDBe
16827	ChEBI
493533	eMolecules
The data in this table is sourced from UniChem at EBI.