Spectrum PM000422 for Kaempferol

Rating: (*)★(*)★(*)★(*)★( )☆

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
286.05
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
286.04773803999996
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
PM000422
Sanchez-Rabaneda F, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/NH3CN/HCOOH
QqQ
API 3000
-35
ESI
negative
Theobroma cacao
[M-H]-
MS2
1.3387519343886454
0.9657053883615029
285
[M-H]-
141.97207017531852 ppm
-0.04046203999996578 Da