Dataset

4-Androstene-3,17-dione

This MassBank record with Accession MSBNK-LCSB-LU039601 contains the MS2 mass spectrum of 4-Androstene-3,17-dione with the InChIkey AEMFNILZOJDQLW-QAGGRKNESA-N.

Chemical Info

InChI	InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILES	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Key	AEMFNILZOJDQLW-QAGGRKNESA-N
Molecular Formula	C19H26O2
Exact Mass	286.193 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-LCSB-LU039601
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T18:28:00.220159
MetadataModified	2025-02-09T14:56:40.102477
MetadataPublished	2020-08-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15962866	PubChem: Thomson Pharma
14775551	PubChem: Thomson Pharma
60020994	NMRShiftDB
PD008797	ProbesDrugs
LSM-5464	LINCS
andrstndn	Recon
104534-78-3	ACToR
63-05-8	ACToR
409J2J96VR	FDA SRS
477820	eMolecules
63055	Brenda
7119	Brenda
4682	Brenda
175594	Brenda
1186	Brenda
12426	Brenda
1319	Brenda
2262	Brenda
92444	Brenda
HMDB0000053	Human Metabolome Database
16422	Rhea
androstenedione	DailyMed
CB8365581	ChemicalBook
ZINC000004428526	ZINC
MTBLC16422	Metabolights
8046	Brenda
MCULE-8902385122	Mcule
6128	PubChem
SCHEMBL23272	SureChEMBL
CHEMBL274826	ChEMBL
ASD	PDBe
DB01536	DrugBank
C00280	KEGG Ligand
16422	ChEBI
SLM:000001060	SwissLipids
217865	Brenda
ANDROSTENEDIONE	DailyMed
ANDROSTENEDIONE	rxnorm
ANDROSTENEDIONE	clinicaltrials
91713	BindingDB
215	DrugCentral
LMST02020007	LipidMaps
J38.388K	Nikkaji
2860	Guide to Pharmacology
ANDSEO	CCDC
DTXSID8024523	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.