Dataset

Flavonol base + 3O, O-Hex

This MassBank record with Accession MSBNK-RIKEN-PR310905 contains the MS2 mass spectrum of Flavonol base + 3O, O-Hex with the InChIkey JPUKWEQWGBDDQB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
SMILES O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C=C4
InChI Key JPUKWEQWGBDDQB-UHFFFAOYSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310905
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:14:36.232006
MetadataModified 2025-02-09T18:35:11.872604
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5462193 PubChem
60024209 NMRShiftDB
PD086921 ProbesDrugs
HMDB0257804 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.