Spectrum CCMSLIB00000578416 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
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
C15H10O6
286.04773803999996
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
IYRMWMYZSQPJKC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
286.048
1
f.TJLing/20160205 standards/HC-1_P1-F-3_01_30586.mzXML;
MS2
GNPS-LIBRARY
TJLing, TJ Ling
positive
2.021100659639633
0.41929099620676336
287.058
[M+H]+
7.984309791179473 ppm
0.002291960000036397 Da