Dataset

2',3',6-Trimethoxyflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01269 contains the MS2 mass spectrum of 2',3',6-Trimethoxyflavone with the InChIkey JAJRYQVSBTWNTH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-10H,1-3H3
SMILES COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C(=CC=C3)OC)OC
InChI Key JAJRYQVSBTWNTH-UHFFFAOYSA-N
Molecular Formula C18H16O5
Exact Mass 312.100 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-Washington_State_Univ-BML01269
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:29:01.097206
MetadataModified 2024-01-11T22:29:01.265530
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LMPK12110089 LipidMaps
ZINC000000057847 ZINC
MolPort-004-955-304 MolPort
J437.555F Nikkaji
SCHEMBL4787654 SureChEMBL
49664847 PubChem: Thomson Pharma
688801 PubChem
70104503 NMRShiftDB
4368710 eMolecules
The data in this table is sourced from UniChem at EBI.