Spectrum PM007430 for Kaempferol

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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
286.05
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
PM007430
Parejo I, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QqQ
API 3000
35V
ESI
negative
Foeniculum vulgare
[M-H]-
MS2
1.0986122886681096
0.9999999999999998
285
[M-H]-
141.97207017551798 ppm
-0.040462040000022625 Da