Dataset

Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA05066 contains the MS2 mass spectrum of Hyrcanogenin with the InChIkey JPIDFRQBAGAXJM-NGIHOKHASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10-11,13,16-19,25,27H,2-9,12H2,1H3/t16?,17?,18?,19?,21-,22-,23?/m1/s1
SMILES C[C@]12CCC3C(CCC4=CC(O)CC[C@@]43C=O)C1(O)CCC2C1=CC(=O)OC1
InChI Key JPIDFRQBAGAXJM-NGIHOKHASA-N
Molecular Formula C23H30O5
Exact Mass 386.493 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-NGA05066
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MetadataPublished 2018-04-04
Related Molecule
  • (10S,13R)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139291912 PubChem
    The data in this table is sourced from UniChem at EBI.