Dataset

Kaempferol-4'-methyl ether

This MassBank record with Accession MSBNK-RIKEN-PR302779 contains the MS2 mass spectrum of Kaempferol-4'-methyl ether with the InChIkey SQFSKOYWJBQGKQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
SMILES	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key	SQFSKOYWJBQGKQ-UHFFFAOYSA-N
Molecular Formula	C16H12O6
Exact Mass	300.266 g/mol

Data and Resources

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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-PR302779
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:40:18.434225
MetadataModified	2025-02-09T18:07:46.137845
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J13.293D	Nikkaji
DTXSID9034155	EPA CompTox Dashboard
LMPK12110563	LipidMaps
50084978	BindingDB
HY-15449	MedChemExpress
MCULE-9836342232	Mcule
172909	Brenda
CHEMBL40919	ChEMBL
6099	ChEBI
C10098	KEGG Ligand
4368580	eMolecules
5281666	PubChem
60022383	NMRShiftDB
PD012582	ProbesDrugs
15443836	PubChem: Thomson Pharma
491-54-3	ACToR
SCHEMBL426774	SureChEMBL
508XL61MPD	FDA SRS
124053	Brenda
13699	Brenda
56862	Brenda
111079	Brenda
136804	Brenda
30766	Brenda
172825	Brenda
HMDB0037441	Human Metabolome Database
CB0387974	ChemicalBook
ZINC000006411540	ZINC
MTBLC6099	Metabolights
The data in this table is sourced from UniChem at EBI.