Dataset

Betamethasone

This MassBank record with Accession MSBNK-Waters-WA001166 contains the MS mass spectrum of Betamethasone with the InChIkey UREBDLICKHMUKA-DVTGEIKXSA-N.

Chemical Info

InChI	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
SMILES	OCC(=O)C(O)(C(C)4)C(C)(C3)C([H])(C4)C([H])(C1)C(F)(C(O)3)C(C)(C=2)C(=CC(=O)C2)C1
InChI Key	UREBDLICKHMUKA-DVTGEIKXSA-N
Molecular Formula	C22H29FO5
Exact Mass	392.200 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-WA001166
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:40.350082
MetadataModified	2024-01-11T22:49:40.511792
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL632	ChEMBL
3077	ChEBI
DB00443	DrugBank
31224942	eMolecules
535310	eMolecules
DTXSID3022667	EPA CompTox Dashboard
348	DrugCentral
ZINC000003876136	ZINC
73823	BindingDB
BETAMETHASONE	DailyMed
TACLONEX	rxnorm
43871	Brenda
LOTRISONE	rxnorm
CELESTONE	clinicaltrials
RINDERON	clinicaltrials
BETAMETHASONE	clinicaltrials
HY-13570	MedChemExpress
BETAMETHASONE	rxnorm
105589	Brenda
HMDB0014586	Human Metabolome Database
betamethasone	DailyMed
CB7392335	ChemicalBook
J2.038I	Nikkaji
SCHEMBL4565	SureChEMBL
7061	Guide to Pharmacology
9842X06Q6M	FDA SRS
PD010025	ProbesDrugs
LSM-2864	LINCS
15004923	PubChem: Thomson Pharma
14756597	PubChem: Thomson Pharma
9782	PubChem
Betamethasone-(Celestone)	Selleck
PA164754818	PharmGKB
378-44-9	ACToR
The data in this table is sourced from UniChem at EBI.