Dataset

1-Dehydrotestosterone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103511_1273 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	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103511_1273
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:35:52.038943
MetadataModified	2025-02-08T18:49:04.082759
MetadataPublished	2022-04-08

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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