Spectrum CCMSLIB00000081299 for Chrysoeriol (Luteolin 3'-methyl ether)

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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
491-71-4
InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
C16H12O6
300.06338810399996
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC)C3
SCZVLDHREVKTSH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
300.063
-1
f.rsilva/q_tof_25_05/gnps_Chrysoeriol_neg.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
0.0
NaN
299.06
[M-H]-
13.00038788215566 ppm
0.003887896000037472 Da