Spectrum CCMSLIB00004679288 for Quercitrin

Rating: (*)★(*)★(*)★(*)★(*)☆

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
25709211
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
LC-ESI
Isolated
qTof
448.101
1
f.kbkang/Rhamnaceae/Standards/180116_Quercitrin.mzXML;
MS2
GNPS-LIBRARY
Kyo BIn Kang, kbkang, Sang Hyun Sung
negative
3.334619270767076
0.5933063050906755
447.091
[M-H]-
5.111845239550705 ppm
-0.0022854599999959646 Da