Spectrum VF-NPL-LTQ000333 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
286.04773804
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
IYRMWMYZSQPJKC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI Ion Max
35
120_94_iTree_NEG_08012014_04.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
1.4637743721391854
0.9094941537231377
285.07526779174805
M-H
122.09320021914493 ppm
0.03480575174802425 Da