Dataset

Picrotoxinin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00672 contains the MS2 mass spectrum of Picrotoxinin with the InChIkey PIMZUZSSNYHVCU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3
SMILES CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
InChI Key PIMZUZSSNYHVCU-UHFFFAOYSA-N
Molecular Formula C15H16O6
Exact Mass 292.095 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-Washington_State_Univ-BML00672
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD009304 ProbesDrugs
    17617-45-7 ACToR
    4816 PubChem
    CIBCUL CCDC
    MCULE-1048308281 Mcule
    The data in this table is sourced from UniChem at EBI.