Dataset

Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA01979 contains the MS2 mass spectrum of Boldenone with the InChIkey RSIHSRDYCUFFLA-DGGYFRSASA-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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14?,15?,16?,17?,18-,19-/m0/s1
SMILES C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(O)CCC12
InChI Key RSIHSRDYCUFFLA-DGGYFRSASA-N
Molecular Formula C19H26O2
Exact Mass 286.418 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-RIKEN_NPDepo-NGA01979
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (10R,13S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL12430769 SureChEMBL
    68262694 PubChem
    The data in this table is sourced from UniChem at EBI.