Dataset

Thermopsoside, crotonoyl; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01629 contains the MS2 mass spectrum of Thermopsoside, crotonoyl with the InChIkey OAZSPRBLFZZMMR-ONEGZZNKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H26O12/c1-3-4-21(30)35-11-20-23(31)24(32)25(33)26(38-20)36-13-8-15(28)22-16(29)10-17(37-19(22)9-13)12-5-6-14(27)18(7-12)34-2/h3-10,20,23-28,31-33H,11H2,1-2H3/b4-3+
SMILES C/C=C/C(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O
InChI Key OAZSPRBLFZZMMR-ONEGZZNKSA-N
Molecular Formula C26H26O12
Exact Mass 530.142 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-BML01629
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181465 chebi
    24208689 pubchem
    The data in this table is sourced from UniChem at EBI.