Dataset

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

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100106_EF88 contains the MS2 mass spectrum of Methandrostenolone with the InChIkey XWALNWXLMVGSFR-HLXURNFRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C
InChI Key XWALNWXLMVGSFR-HLXURNFRSA-N
Molecular Formula C20H28O2
Exact Mass 300.209 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_N100106_EF88
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MetadataPublished 2022-04-07
Related Molecule
  • (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13586 drugbank
    CHEBI:6810 chebi
    LMST02020013 lipidmaps
    CHEMBL1418176 chembl
    140928 surechembl
    6300 pubchem
    COZ1R7EOCC fdasrs
    PD014157 probes_and_drugs
    NEQQEH CCDC
    HMDB0041925 hmdb
    1734 drugcentral
    The data in this table is sourced from UniChem at EBI.