Dataset

Isoflavone base + 2O + 1MeO + 1Prenyl

This MassBank record with Accession MSBNK-RIKEN-PR309031 contains the MS2 mass spectrum of Isoflavone base + 2O + 1MeO + 1Prenyl with the InChIkey JQNSUDIGIIGIOL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
SMILES O=C1C(=COC=2C=C(O)C(=C(O)C1=2)CC=C(C)C)C3=CC=C(OC)C=C3
InChI Key JQNSUDIGIIGIOL-UHFFFAOYSA-N
Molecular Formula C21H20O5
Exact Mass 352.386 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-PR309031
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:27.300583
MetadataModified 2024-01-11T20:42:27.478983
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0038481 Human Metabolome Database
J589.978H Nikkaji
ZINC000014819503 ZINC
CHEMBL4453259 ChEMBL
50535080 BindingDB
LMPK12050225 LipidMaps
175515 ChEBI
49696718 PubChem: Thomson Pharma
5317478 PubChem
SCHEMBL572123 SureChEMBL
60069448 NMRShiftDB
The data in this table is sourced from UniChem at EBI.