Spectrum PM016135 for Quercetin-3-O-alpha-rhamnoside

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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
448.1
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
OXGUCUVFOIWWQJ-HQBVPOQASA-N
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

Mass Spectral Metadata

NameValue
PM016135
Ek S, Kartimo H, Mattila S, & Tolonen A
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/CF3COOH
QqQ
Quattro II
24->30V
ESI
positive
Vaccinium vitis-idaea L.
[M+H]+
MS2
1.791759469228055
1.0
449
[M+H]+
241.7181737193646 ppm
-0.1085314599999947 Da