Spectrum CCMSLIB00000847769 for NCGC00385667-01!6-hydroxy-5-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/C16H12O4/c1-19-16-11(17)7-8-13-15(16)12(18)9-14(20-13)10-5-3-2-4-6-10/h2-9,17H,1H3
C16H12O4
268.073558864
O=C1C=C(OC2=CC=C(O)C(OC)=C12)C=3C=CC=CC3
OIOAFLUQYGYCKL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
268.074
1
positive
E8_GE8_01_2633.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.5480191176753118
0.424046985492632
269.081
[M+H]+
1.965445349128965 ppm
-5.28863999988971E-4 Da