Spectrum VF-NPL-QEHF014148 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
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
C15H10O2
222.06807956
O=C1C=C(OC=2C=CC=CC12)C=3C=CC=CC3
VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C4_2_p19_C08_NEG_QEHF_42.raw
19
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.9872572782420796
0.6724339885651166
221.0608062744141
[M-H]-
0.012279038179225083 ppm
2.7144140801738104E-6 Da