Spectrum CCMSLIB00000847382 for NCGC00385938-01!7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-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/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3
C16H14O4
270.089208928
O=C1C=2C(OC)=CC(O)=CC2OC(C=3C=CC=CC3)C1
QQQCWVDPMPFUGF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
270.089
1
positive
E9_GE9_01_2714.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.362950286846375
0.41575035164023383
271.096
[M+H]+
4.348747307232985 ppm
-0.0011789280000016333 Da