Dataset

Epitestosterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100317_CC60 contains the MS2 mass spectrum of Epitestosterone with the InChIkey MUMGGOZAMZWBJJ-KZYORJDKSA-N.

Chemical Info

InChI	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
InChI Key	MUMGGOZAMZWBJJ-KZYORJDKSA-N
Molecular Formula	C19H28O2
Exact Mass	288.209 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100317_CC60
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:25.935540
MetadataModified	2024-01-11T09:29:26.087235
MetadataPublished	2022-04-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
42534	ChEBI
EPITES	CCDC
J12.325K	Nikkaji
SCHEMBL334193	SureChEMBL
14849071	PubChem: Thomson Pharma
10204	PubChem
481-30-1	ACToR
48L726977Z	FDA SRS
LSM-2564	LINCS
PD005482	ProbesDrugs
70092858	NMRShiftDB
SLM:000485679	SwissLipids
42534	Rhea
HMDB0000628	Human Metabolome Database
MTBLC42534	Metabolights
49669	Brenda
152126	Brenda
151086	Brenda
CB4215857	ChemicalBook
29308	Brenda
30545	Brenda
2140	Brenda
DTXSID8022329	EPA CompTox Dashboard
ZINC000004538008	ZINC
LMST02020051	LipidMaps
50410492	BindingDB
DB07768	DrugBank
CHEMBL196228	ChEMBL
FFA	PDBe
29549804	eMolecules
538110	eMolecules
The data in this table is sourced from UniChem at EBI.