Spectrum CCMSLIB00005435847 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
520-18-3
5280863
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
286.04773804
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
Commercial
Orbitrap
286.048
1
f.joshkellogg/greentea-goldenseal/kaempferol_001.mzXML;
MS2
GNPS-LIBRARY
Cech, Kellogg, joshkellogg
positive
3.2225257787320474
0.6855737133131897
287.05
[M+H]+
19.88517679847344 ppm
-0.005708040000001802 Da