Dataset

Epitestosterone; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100306_EF88 contains the MS2 mass spectrum of Epitestosterone with the InChIkey MUMGGOZAMZWBJJ-KZYORJDKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/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)CC[C@]34C
InChI Key MUMGGOZAMZWBJJ-KZYORJDKSA-N
Molecular Formula C19H28O2
Exact Mass 288.209 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-Antwerp_Univ-METOX_N100306_EF88
Version
Author
Maintainer
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MetadataPublished 2022-04-07
Related Molecule
  • (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    42534 ChEBI
    SCHEMBL334193 SureChEMBL
    ZINC000004538008 ZINC
    42534 Rhea
    HMDB0000628 Human Metabolome Database
    2140 Brenda
    49669 Brenda
    152126 Brenda
    151086 Brenda
    29308 Brenda
    30545 Brenda
    MTBLC42534 Metabolights
    10204 PubChem
    48L726977Z FDA SRS
    14849071 PubChem: Thomson Pharma
    LSM-2564 LINCS
    PD005482 ProbesDrugs
    481-30-1 ACToR
    70092858 NMRShiftDB
    29549804 eMolecules
    538110 eMolecules
    DB07768 DrugBank
    CHEMBL196228 ChEMBL
    FFA PDBe
    SLM:000485679 SwissLipids
    CB4215857 ChemicalBook
    50410492 BindingDB
    J12.325K Nikkaji
    EPITES CCDC
    LMST02020051 LipidMaps
    DTXSID8022329 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.