Spectrum VF-NPL-QEHF000689 for kaempferol

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
35HCD
120_94_POS_QEHF_146.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.9844916188944737
0.5327433627025102
287.0550231933594
[M+H]+
2.3857678328102843 ppm
-6.848466405813269E-4 Da