Dataset

Chalcone base + 3O, 1MeO, 1Prenyl

This MassBank record with Accession MSBNK-RIKEN-PR310778 contains the MS2 mass spectrum of Chalcone base + 3O, 1MeO, 1Prenyl with the InChIkey ORXQGKIUCDPEAJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3
SMILES O=C(C=CC1=CC=C(O)C=C1)C=2C(O)=C(C(O)=CC=2(OC))CC=C(C)C
InChI Key ORXQGKIUCDPEAJ-UHFFFAOYSA-N
Molecular Formula C21H22O5
Exact Mass 354.402 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-PR310778
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:50:17.616122
MetadataModified 2025-02-09T18:31:55.461843
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
94745 ChEBI
HMDB0259921 Human Metabolome Database
17002034 eMolecules
160869 PubChem
PD056553 ProbesDrugs
The data in this table is sourced from UniChem at EBI.