Spectrum FiehnHILIC002803 for Liquiritigenin

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  • Originally submitted to the Fiehn Lab HILIC Library

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
FURUXTVZLHCCNA-AWEZNQCLSA-N
C15H12O4
256.073558864
O=C1C2=CC=C(O)C=C2OC(C3=CC=C(O)C=C3)C1
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

Mass Spectral Metadata

NameValue
255.0717
M + 0
15 eV
negative
98
35 eV
1.205333
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.4137590941988687
0.3758797858959899
[M-H]-
21.237699046883925 ppm
0.005417135999977063 Da