Spectrum MetaboBASE0363 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
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
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
50
0.017
2013-11-19 02:58:02+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
588.6
C:\Data\Confirmed Standards\Confirmed stds MSMS 14Nov13\Kaempferol MSMS (vial 109).d
3.1821199623771186
0.9355881489071433
285
[M-H]-
141.97207017551798 ppm
-0.040462040000022625 Da