Ojima:PR101047p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Quercetin-3-O-alpha-L-rhamnopyranoside

IDs and Links
MassBank	Quercetin-3-O-alpha-L-rhamnopyranoside
CAS	522-12-3
Keio ID

Top 10 Similar Molecules of Quercetin-3-O-alpha-L-rhamnopyranoside

Ranking	About scoring
M011+ Score:9.58 S049+ Score:9.58 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94 A155+ Score:5.54 A064+ Score:5.54 F034+ Score:5.54 A204+ Score:4.03 M082+ Score:4.03	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment
Pages Related to Peak C6H9O3:   F034+  S049+  A064+  M011+  A155+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+   Pages Related to Peak C4H7O:   F008+  A224+  B090+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

PR101047p	449 C21H21O11	303 C15H11O7	287 C15H11O6	257 C14H9O5	229 C13H9O4	165 C8H5O4	153 C7H5O4	137 C7H5O3	129 C6H9O3	85 C4H5O2	71 C4H7O
449 C21H21O11
303 C15H11O7	C6H10O4
287 C15H11O6	C6H10O5	O
257 C14H9O5	C7H12O6	CH2O2	CH2O
229 C13H9O4	C8H12O7	C2H2O3	C2H2O2	CO
165 C8H5O4	C13H16O7	C7H6O3	C7H6O2	C6H4O	C5H4
153 C7H5O4	C14H16O7	C8H6O3	C8H6O2	C7H4O	C6H4	C
137 C7H5O3	C14H16O8	C8H6O4	C8H6O3	C7H4O2	C6H4O	CO	O
129 C6H9O3	C15H12O8	C9H2O4	C9H2O3	C8O2	C7O
85 C4H5O2	C17H16O9	C11H6O5	C11H6O4	C10H4O3	C9H4O2	C4O2	C3O2	C3O	C2H4O
71 C4H7O	C17H14O10	C11H4O6	C11H4O5	C10H2O4	C9H2O3				C2H2O2

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