Dataset

Herqueichrysin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000686 contains the MS2 mass spectrum of Herqueichrysin with the InChIkey RFUGLBPILINWDW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)15(22)14-18(26-8(2)20(14,3)4)13(12)16(23)17(24)19(11)25-5/h6,8,22-24H,1-5H3
SMILES CC1C(C2=C(O1)C3=C4C(=C2O)C(=CC(=O)C4=C(C(=C3O)O)OC)C)(C)C
InChI Key RFUGLBPILINWDW-UHFFFAOYSA-N
Molecular Formula C20H20O6
Exact Mass 356.126 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-AAFC-AC000686
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MetadataPublished 2017-07-07
Related Molecule
  • 1,2,7-trihydroxy-3-methoxy-6,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70110361 NMRShiftDB
    304248 PubChem
    The data in this table is sourced from UniChem at EBI.