Spectrum PM018405 for Tamarixetin

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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
316.06
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
FPLMIPQZHHQWHN-UHFFFAOYSA-N
C16H12O7
316.058302724
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(OC)=C(O)C3

Mass Spectral Metadata

NameValue
PM018405
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
1.6894706545369116
0.5963090136086092
317
[M+H]+
209.06222082014745 ppm
-0.06627272399998674 Da