MassBank of North America

Spectrum MoNA043808 for Liquiritigenin

Rating: ★★★☆☆

SPLASH:
splash10-014i-1900000000-750f935a5297d60f2932
Submitter:
Elys Rodriguez

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.

Kingdom
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Organic compounds
- Superclass
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  Phenylpropanoids and polyketides
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    Flavonoids
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      Flavans

Compound Metadata

Name	Value
InChI Create New Query Add to Query	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
InChIKey Create New Query Add to Query	FURUXTVZLHCCNA-AWEZNQCLSA-N
molecular formula Create New Query Add to Query	C15H12O4
total exact mass Create New Query Add to Query	256.073558864
SMILES Create New Query Add to Query	O=C1C2=CC=C(O)C=C2OC(C3=CC=C(O)C=C3)C1

Mass Spectral Metadata

Name	Value
sample introduction Create New Query Add to Query	Liquid Chromatography (LC)
ms level Create New Query Add to Query	MS2
ionization Create New Query Add to Query	Electrospray Ionization (ESI)
author Create New Query Add to Query	Elys Rodriguez
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.068077394001126
normalized entropy Create New Query Add to Query	0.3627439391878634
precursor m/z Create New Query Add to Query	255.0669
precursor type Create New Query Add to Query	[M-H]
mass accuracy Create New Query Add to Query	2.4195064118011773 ppm
mass error Create New Query Add to Query	6.171359999882498E-4 Da