Dataset

1-Dehydrotestosterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103506_EF88 contains the MS2 mass spectrum of 1-Dehydrotestosterone with the InChIkey RSIHSRDYCUFFLA-DYKIIFRCSA-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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/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)C=C[C@]34C
InChI Key	RSIHSRDYCUFFLA-DYKIIFRCSA-N
Molecular Formula	C19H26O2
Exact Mass	286.193 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_N103506_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:44.456902
MetadataModified	2024-01-11T09:32:44.620383
MetadataPublished	2022-04-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL209073	ChEMBL
34584	ChEBI
C14502	KEGG Ligand
DB01541	DrugBank
511354	eMolecules
91719	BindingDB
ZINC000004215042	ZINC
LMST02020018	LipidMaps
233776	Brenda
148714	Brenda
DTXSID20894201	EPA CompTox Dashboard
SLM:000501175	SwissLipids
71489	Brenda
104351	Brenda
CB3364958	ChemicalBook
90729	Brenda
104352	Brenda
34584	Rhea
42618	Brenda
13308	PubChem
70060601	NMRShiftDB
PD008792	ProbesDrugs
14973284	PubChem: Thomson Pharma
5H7I2IP58X	FDA SRS
846-48-0	ACToR
221459	Brenda
ZZZRLQ	CCDC
J7.137D	Nikkaji
SCHEMBL15903	SureChEMBL
The data in this table is sourced from UniChem at EBI.