Ojima:PR100244p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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kaempferol-3-O-rutinoside

IDs and Links
MassBank	kaempferol-3-O-rutinoside
CAS	17650-84-9
Keio ID

Top 10 Similar Molecules of kaempferol-3-O-rutinoside

Ranking	About scoring
M011+ Score:9.57 S049+ Score:9.57 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。

PR100244p	595 C27H31O15	449 C21H21O11	287 C15H11O6	153 C7H5O4	129 C6H9O3	85 C4H5O2	71 C4H7O
595 C27H31O15
449 C21H21O11	C6H10O4
287 C15H11O6	C12H20O9	C6H10O5
153 C7H5O4	C20H26O11	C14H16O7	C8H6O2
129 C6H9O3	C21H22O12	C15H12O8	C9H2O3
85 C4H5O2	C23H26O13	C17H16O9	C11H6O4	C3O2	C2H4O
71 C4H7O	C23H24O14	C17H14O10	C11H4O5		C2H2O2

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