Spectrum PT204040 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
286.04773804
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
PT204040
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
35.0 V
[M-H]-
MS2
negative
1.1791021724565796
0.6580694522376784
285.03994
[M-H]-
1.8314626365035251 ppm
-5.220400000212067E-4 Da