Dataset

Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00364 contains the MS2 mass spectrum of Androst-5-ene-3,17-diol with the InChIkey QADHLRWLCPCEKT-JRQDRJMYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1
SMILES C[C@]12CCC3C(CC=C4CC(O)CC[C@@]43C)C1CCC2O
InChI Key QADHLRWLCPCEKT-JRQDRJMYSA-N
Molecular Formula C19H30O2
Exact Mass 290.450 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-NGA00364
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44135378 PubChem
    The data in this table is sourced from UniChem at EBI.