Dataset

Quercetin

This MassBank record with Accession MSBNK-RIKEN-PR306494 contains the MS2 mass spectrum of Quercetin with the InChIkey REFJWTPEDVJJIY-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
InChI Key	REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula	C15H10O7
Exact Mass	302.238 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306494
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:40:08.527506
MetadataModified	2025-02-09T17:50:04.345921
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14898468	PubChem: Thomson Pharma
5280343	PubChem
PD001643	ProbesDrugs
quercetin	Atlas
LSM-4199	LINCS
117-39-5	ACToR
Quercetin(Sophoretin)	Selleck
9IKM0I5T1E	FDA SRS
19386	Brenda
HMDB0005794	Human Metabolome Database
212703	Brenda
CB3230765	ChemicalBook
ZINC000003869685	ZINC
14893	Brenda
57443	Brenda
MTBLC16243	Metabolights
137	Brenda
37996	Brenda
MCULE-2433372790	Mcule
SCHEMBL19723	SureChEMBL
16243	ChEBI
QUE	PDBe
C00389	KEGG Ligand
DB04216	DrugBank
12014036	PubChem: Drugs of the Future
CHEMBL50	ChEMBL
3514	DrugCentral
7460	BindingDB
229833	Brenda
229834	Brenda
QUERCETIN	rxnorm
QUERCETIN	clinicaltrials
HY-18085	MedChemExpress
43252	Brenda
DTXSID4021218	EPA CompTox Dashboard
LMPK12110004	LipidMaps
5346	Guide to Pharmacology
J2.907F	Nikkaji
NAFZEC	CCDC
QUERCETIN	DailyMed
729752	eMolecules
60005079	NMRShiftDB
110161	Brenda
215295	Brenda
The data in this table is sourced from UniChem at EBI.