Dataset

Picrotin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81947 contains the MS mass spectrum of Picrotin with the InChIkey RYEFFICCPKWYML-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3
SMILES CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
InChI Key RYEFFICCPKWYML-UHFFFAOYSA-N
Molecular Formula C15H18O7
Exact Mass 310.105 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-BML81947
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-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
    4815 PubChem
    PD014708 ProbesDrugs
    181758 ChEBI
    21416-53-5 ACToR
    CHEMBL1881068 ChEMBL
    81474 BindingDB
    MCULE-5890565313 Mcule
    The data in this table is sourced from UniChem at EBI.