Spectrum PN000001 for Keampferol

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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
Natural Product; flavonol
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
IYRMWMYZSQPJKC-UHFFFAOYSA-N
C15H10O6
286.04773804
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
PN000001
2011.03.19
Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
CC BY-SA
Copyright(C) 2011
lupinus_mexico
286.04773804
micrOTOF-Q
ESI-TOF
MS2
15 eV
ESI
7
argon
0.026
49.999-1000
447.179
Poroshell 120,EC-C18 2.1x100mm,2.7um
2
positive
2.888000867973152
0.7997968765394363
287.052
[M+H]+
12.917659518109094 ppm
-0.003708039999992252 Da