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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
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    CHEMBL1418176 ChEMBL
    520782 eMolecules
    29537664 eMolecules
    PD014157 ProbesDrugs
    14873807 PubChem: Thomson Pharma
    72-63-9 ACToR
    COZ1R7EOCC FDA SRS
    MCULE-1812806265 Mcule
    6300 PubChem
    SCHEMBL140928 SureChEMBL
    ZINC000003875469 ZINC
    CB7113183 ChemicalBook
    CB0502711 ChemicalBook
    HMDB0041925 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.