Dataset

Herqueichrysin

This MassBank record with Accession MSBNK-AAFC-AC000689 contains the MS2 mass spectrum of Herqueichrysin with the InChIkey RFUGLBPILINWDW-UHFFFAOYSA-N.

Chemical Info

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-AC000689
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:18.894356
MetadataModified 2024-01-11T09:22:19.039106
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
304248 PubChem
70110361 NMRShiftDB
The data in this table is sourced from UniChem at EBI.