Spectrum VF-NPL-QTOF006831 for baicalein

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  • Originally submitted to the Vaniya/Fiehn Natural Products 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
FXNFHKRTJBSTCS-UHFFFAOYSA-N
C15H10O5
270.05282342
O=C1C=C(OC2=CC(O)=C(O)C(O)=C12)C=3C=CC=CC3
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C4_37
4.1935 minutes
1.0492611822625673
0.4775393435361201
271.0601
[M+H]+
2.5581780572080053 ppm
-6.934200000046076E-4 Da