Dataset

Quercetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00281 contains the MS2 mass spectrum of Quercetin with the InChIkey REFJWTPEDVJJIY-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Metadata Information

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
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.