Dataset

Quercetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00281 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	Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
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/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00281
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:35:42.174361
MetadataModified	2024-01-11T16:35:42.346773
MetadataPublished	2016-01-19

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