Spectrum PM018408 for Myricetin

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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
318.04
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
IKMDFBPHZNJCSN-UHFFFAOYSA-N
C15H10O8
318.03756727999996
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(O)=C(O)C3

Mass Spectral Metadata

NameValue
PM018408
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
CH3OH
QIT
LCQ Duo
20->60%
ESI
positive
authentic sample
[M+H]+
MS2
2.26116809948115
0.742700422064212
319
[M+H]+
142.75009404376885 ppm
-0.045537279999962266 Da