Dataset

Androstenedione; LC-APPI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-PFOS_research_group-FFF00262 contains the MS2 mass spectrum of Androstenedione with the InChIkey AEMFNILZOJDQLW-WFZCBACDSA-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/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
SMILES O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1
InChI Key AEMFNILZOJDQLW-WFZCBACDSA-N
Molecular Formula C19H26O2
Exact Mass 286.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-PFOS_research_group-FFF00262
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (10R,13S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24438354 PubChem: Thomson Pharma
    SCHEMBL2600414 SureChEMBL
    8592 BindingDB
    DTXSID40424100 EPA CompTox Dashboard
    6432604 PubChem
    The data in this table is sourced from UniChem at EBI.