Spectrum CCMSLIB00000848128 for NCGC00090962-07!2-phenylchromen-4-one

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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
n/a
n/a
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
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
222.068
1
positive
A8_GA8_01_2688.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.0910984949441422
0.4009825992377895
223.075
[M+H]+
4.704964698028293 ppm
-0.0010495600000126615 Da