Dataset

Quercetin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306532 contains the MS2 mass spectrum of Quercetin with the InChIkey REFJWTPEDVJJIY-UHFFFAOYSA-N.

Chemical Information

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 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

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-PR306532
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04216 drugbank
    CHEBI:16243 chebi
    LMPK12110004 lipidmaps
    QUE rcsb_pdb
    CHEMBL50 chembl
    19723 surechembl
    29351036 surechembl
    29353785 surechembl
    29723041 surechembl
    5280343 pubchem
    9IKM0I5T1E fdasrs
    QUE pdbe
    5346 gtopdb
    PD001643 probes_and_drugs
    NAFZEC CCDC
    110161 brenda
    137 brenda
    14893 brenda
    19386 brenda
    212703 brenda
    215295 brenda
    229833 brenda
    229834 brenda
    37996 brenda
    43252 brenda
    57443 brenda
    HMDB0005794 hmdb
    DTXSID4021218 comptox
    NCT00065676 clinicaltrials
    NCT00455416 clinicaltrials
    NCT00913081 clinicaltrials
    NCT01185067 clinicaltrials
    NCT01348204 clinicaltrials
    NCT01375101 clinicaltrials
    NCT01376011 clinicaltrials
    NCT01438320 clinicaltrials
    NCT01708278 clinicaltrials
    NCT01720147 clinicaltrials
    NCT01722669 clinicaltrials
    NCT01732393 clinicaltrials
    NCT01839344 clinicaltrials
    NCT01912820 clinicaltrials
    NCT02180022 clinicaltrials
    NCT02226484 clinicaltrials
    NCT02463357 clinicaltrials
    NCT02848131 clinicaltrials
    NCT02874989 clinicaltrials
    NCT02989129 clinicaltrials
    NCT03476330 clinicaltrials
    NCT03943459 clinicaltrials
    NCT03989271 clinicaltrials
    NCT04063124 clinicaltrials
    NCT04258410 clinicaltrials
    NCT04313634 clinicaltrials
    NCT04578158 clinicaltrials
    NCT04685590 clinicaltrials
    NCT04733534 clinicaltrials
    NCT04785300 clinicaltrials
    NCT04851821 clinicaltrials
    NCT04853199 clinicaltrials
    NCT04907253 clinicaltrials
    NCT04946383 clinicaltrials
    NCT05062486 clinicaltrials
    NCT05276895 clinicaltrials
    NCT05422885 clinicaltrials
    NCT05456022 clinicaltrials
    NCT05456022 clinicaltrials
    NCT05506488 clinicaltrials
    NCT05653258 clinicaltrials
    NCT05680662 clinicaltrials
    NCT05724329 clinicaltrials
    NCT05724329 clinicaltrials
    NCT05838560 clinicaltrials
    NCT05928546 clinicaltrials
    NCT06003270 clinicaltrials
    NCT06018467 clinicaltrials
    NCT06355037 clinicaltrials
    Molport-001-740-557 molport
    3514 drugcentral
    7460 bindingdb
    The data in this table is sourced from UniChem at EBI.