Spectrum CCMSLIB00005724322 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
5280343
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
Commercial
Orbitrap
302.043
1
f.kellogglab/AHR/AHR2.mzXML;
MS2
GNPS-LIBRARY
JKellogg, Kellogg, kellogglab
positive
1.5228449675212055
0.4522456726136006
303.049
[M+H]+
5.354447630612693 ppm
-0.001622660000009546 Da