Spectrum MetaboBASE0365 for Liquiritigenin

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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
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
FURUXTVZLHCCNA-AWEZNQCLSA-N
C15H12O4
256.073558864
O=C1C2=CC=C(O)C=C2OC(C3=CC=C(O)C=C3)C1

Mass Spectral Metadata

NameValue
0.014
2013-11-19 11:49:19+01:00
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
20
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
445.8
C:\Data\Confirmed Standards\Confirmed stds MSMS 14Nov13\Liquiritigenin (vial 101).d
1.052032194484693
0.5871503472159357
255.0685
[M-H]-
8.692315985645115 ppm
0.002217135999984521 Da