Spectrum MetaboBASE0399 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
REFJWTPEDVJJIY-UHFFFAOYSA-N
C15H10O7
302.04265266
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
40
0.014
2014-01-10 00:24:33+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
483.6
C:\Data\Confirmed Standards\14Jan9 Confirmed stds MSMS\ZLei_Std_Mix_30_Oct_13_2485.d
2.6165095858749705
0.9437063509950638
301
[M-H]-
117.53043189367831 ppm
-0.03537665999999717 Da