Dataset

Epiandrosterone

This MassBank record with Accession MSBNK-Athens_Univ-AU281806 contains the MS2 mass spectrum of Epiandrosterone with the InChIkey QGXBDMJGAMFCBF-LUJOEAJASA-N.

Chemical Info

InChI	InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
InChI Key	QGXBDMJGAMFCBF-LUJOEAJASA-N
Molecular Formula	C19H30O2
Exact Mass	290.225 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU281806
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:06:26.587504
MetadataModified	2025-02-08T19:04:29.875442
MetadataPublished	2019-05-31
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J9.233I	Nikkaji
LMST02020023	LipidMaps
ANDRON	CCDC
HY-I0352	MedChemExpress
epiandrosterone-3beta-androsterone	Selleck
14942711	PubChem: Thomson Pharma
541975	ChEBI
SLM:000485315	SwissLipids
50236240	BindingDB
CHEMBL272195	ChEMBL
C07635	KEGG Ligand
441302	PubChem
60026049	NMRShiftDB
SCHEMBL295167	SureChEMBL
8TR252Z538	FDA SRS
AOX	PDBe
PD011970	ProbesDrugs
477830	eMolecules
19992	Brenda
91588	Brenda
48652	Brenda
11108	Brenda
103879	Brenda
541975	Rhea
DTXSID20289698	EPA CompTox Dashboard
CB4725653	ChemicalBook
ZINC000003861661	ZINC
MTBLC541975	Metabolights
4812	Brenda
The data in this table is sourced from UniChem at EBI.