Spectrum PT104040 for Luteolin

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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
286.25
C15H10O6
286.04773803999996
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
IQPNAANSBPBGFQ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT104040
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.44263897561923776
0.6385930550300452
287.05554
[M+H]+
0.5853919417428161 ppm
-1.680399999486326E-4 Da