Spectrum CCMSLIB00000078893 for Quercitrin

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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
522-12-3
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
C21H20O11
448.10056146
O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(O)C4
OXGUCUVFOIWWQJ-HQBVPOQASA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
448.101
-1
f.rsilva/gnps_quercitrin_neg_MSMS_447.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
1.627709837912127
0.7827629703873348
447.12
[M-H]-
59.74803184827428 ppm
0.026714540000000397 Da