Spectrum CCMSLIB00000081737 for Quercetin 3,7-dimethyl 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
2068-02-02
InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
C17H14O7
330.073952788
O=C1C(OC)=C(OC2=CC(OC)=CC(O)=C12)C=3C=CC(O)=C(O)C3
LUJAXSNNYBCFEE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
330.074
1
gnps_Quercetin_3_7_dimethyl_ether_pos_MplusH.mgf
MS2
GNPS-LIBRARY
rsilva, Gobbo Neto, Norberto Lopes
positive
2.368431122322862
0.6963521538304303
331.076
[M+H]+
17.88951177362276 ppm
-0.00592278799996393 Da