Spectrum CCMSLIB00000848899 for NCGC00177162-03!6-methoxy-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/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
C16H12O3
252.07864424399997
O=C1C=C(OC2=CC=C(OC)C=C12)C=3C=CC=CC3
XZQLSABETMKIGG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
252.079
1
positive
E3_GE3_01_2811.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.8120133108331684
0.49904495267251336
253.086
[M+H]+
2.4270169031954647 ppm
-6.142439999621274E-4 Da