Spectrum CCMSLIB00000081595 for 3'-O-Methylquercetin

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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
480-19-3
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
C16H12O7
316.058302724
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC)C3
IZQSVPBOUDKVDZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
316.058
1
gnps_3_O_Methylquercetin_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Norberto Lopes
negative
2.796882581734459
0.7531515563710642
315.051
[M-H]-
0.08482436179688747 ppm
-2.6724000008471194E-5 Da