Dataset

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

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA02089 contains the MS2 mass spectrum of Poststerone with the InChIkey VNLQNGYIXVTQRR-BLMSIPRSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1
SMILES CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C
InChI Key VNLQNGYIXVTQRR-BLMSIPRSSA-N
Molecular Formula C21H30O5
Exact Mass 362.470 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-NGA02089
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (10R,13R,14S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139292108 PubChem
    The data in this table is sourced from UniChem at EBI.