Spectrum FiehnHILIC001301 for Liquiritigenin

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
M + 0
negative
HCD (NCE 20-30-40%)
1.301383
150
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5041259142425694
0.5424987493375832
255.0662
[M-H]-
0.324872523315775 ppm
-8.286400000656613E-5 Da