Spectrum CCMSLIB00000077171 for Quercetin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
117-39-5
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
C15H10O7
302.04265266
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3
REFJWTPEDVJJIY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Ion Trap
0.0
-1
f.rsilva/GNPSquercetina_amp08V_neg_MS2.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
2.1819586437161096
0.5577571094772507
301.0
[M-H]-
117.53043189367831 ppm
-0.03537665999999717 Da