Dataset

11-Ketotestosterone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU281504 contains the MS2 mass spectrum of 11-Ketotestosterone with the InChIkey WTPMRQZHJLJSBO-XQALERBDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1
SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
InChI Key WTPMRQZHJLJSBO-XQALERBDSA-N
Molecular Formula C19H26O3
Exact Mass 302.188 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU281504
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Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC34133 Metabolights
    J381.141G Nikkaji
    LMST02020120 LipidMaps
    34133 ChEBI
    DTXSID8036499 EPA CompTox Dashboard
    C14256 KEGG Ligand
    KF38W1A85U FDA SRS
    SCHEMBL142253 SureChEMBL
    CB5293218 ChemicalBook
    107939 Brenda
    34133 Rhea
    34559 Brenda
    13940 Brenda
    60355 Brenda
    ZINC000003814421 ZINC
    5282365 PubChem
    14898502 PubChem: Thomson Pharma
    14776209 PubChem: Thomson Pharma
    564-35-2 ACToR
    PD017021 ProbesDrugs
    6718760 eMolecules
    The data in this table is sourced from UniChem at EBI.