Dataset

Trenbolone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU282401 contains the MS2 mass spectrum of Trenbolone with the InChIkey MEHHPFQKXOUFFV-FOIPXRHGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15?,16?,17-,18-/m0/s1
SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2O
InChI Key MEHHPFQKXOUFFV-FOIPXRHGSA-N
Molecular Formula C18H22O2
Exact Mass 270.162 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-AU282401
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MetadataPublished 2019-05-31
Related Molecule
  • (13S,17S)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44403745 PubChem
    26943446 eMolecules
    SCHEMBL14173778 SureChEMBL
    50410489 BindingDB
    CHEMBL197309 ChEMBL
    The data in this table is sourced from UniChem at EBI.