Spectrum CCMSLIB00000578413 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
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
LC-ESI
Isolated
qTof
302.043
1
f.TJLing/20160205 standards/YCF-5_P1-E-8_01_30582.mzXML;
MS2
GNPS-LIBRARY
TJLing, TJ Ling
positive
2.0936192573427936
0.4700170682927461
303.053
[M+H]+
7.8446344369122025 ppm
0.0023773400000095535 Da