Dataset

4-ANDROSTENE-3,17-DIONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005721 contains the MS mass spectrum of 4-ANDROSTENE-3,17-DIONE with the InChIkey AEMFNILZOJDQLW-QAGGRKNESA-N.

Chemical Information

molecular Image
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 O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
InChI Key AEMFNILZOJDQLW-QAGGRKNESA-N
Molecular Formula C19H26O2
Exact Mass 286.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005721
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
    • 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.