Dataset

Epiandrosterone; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF416804 contains the MS2 mass spectrum of Epiandrosterone with the InChIkey QGXBDMJGAMFCBF-LUJOEAJASA-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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILES O=C2[C@]1(CC[C@H]3[C@H]([C@@H]1CC2)CC[C@H]4C[C@@H](O)CC[C@]34C)C
InChI Key QGXBDMJGAMFCBF-LUJOEAJASA-N
Molecular Formula C19H30O2
Exact Mass 290.225 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-UFZ-UF416804
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:541975 chebi
    LMST02020023 lipidmaps
    AOX rcsb_pdb
    CHEMBL272195 chembl
    295167 surechembl
    441302 pubchem
    8TR252Z538 fdasrs
    PD011970 probes_and_drugs
    ANDRON CCDC
    103879 brenda
    11108 brenda
    19992 brenda
    4812 brenda
    48652 brenda
    91588 brenda
    SLM:000485315 swisslipids
    50236240 bindingdb
    The data in this table is sourced from UniChem at EBI.