Dataset

Quercetin

This MassBank record with Accession MSBNK-BS-BS003398 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	C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[H])[H])[H]
InChI Key	REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula	C15H10O7
Exact Mass	302.043 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-BS-BS003398
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:19.669775
MetadataModified	2024-01-11T12:35:19.827120
MetadataPublished	2017-12-01

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
137	Brenda
37996	Brenda
57443	Brenda
19386	Brenda
14893	Brenda
HMDB0005794	Human Metabolome Database
MTBLC16243	Metabolights
CB3230765	ChemicalBook
215295	Brenda
729752	eMolecules
110161	Brenda
60005079	NMRShiftDB
212703	Brenda
MCULE-2433372790	Mcule
SCHEMBL19723	SureChEMBL
CHEMBL50	ChEMBL
12014036	PubChem: Drugs of the Future
DB04216	DrugBank
16243	ChEBI
QUE	PDBe
C00389	KEGG Ligand
NAFZEC	CCDC
J2.907F	Nikkaji
5346	Guide to Pharmacology
DTXSID4021218	EPA CompTox Dashboard
43252	Brenda
HY-18085	MedChemExpress
QUERCETIN	clinicaltrials
QUERCETIN	rxnorm
229834	Brenda
229833	Brenda
QUERCETIN	DailyMed
ZINC000003869685	ZINC
LMPK12110004	LipidMaps
3514	DrugCentral
7460	BindingDB
The data in this table is sourced from UniChem at EBI.