Spectrum VF-NPL-QTOF007709 for flavone

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
C15H10O2
222.06807956
O=C1C=C(OC=2C=CC=CC12)C=3C=CC=CC3
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C4_2
5.291 minutes
0.7016719314477442
0.3374328719435471
223.0754
[M+H]+
2.9118405704949217 ppm
-6.495599999993829E-4 Da