Ojima:PR100241p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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isorhamnetin-3-O-rutinoside

IDs and Links
MassBank	isorhamnetin-3-O-rutinoside
CAS	604-80-8
Keio ID

Top 10 Similar Molecules of isorhamnetin-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。

PR100241p	625 C28H33O16	479 C22H23O12	317 C16H13O7	302 C15H10O7	285 C15H9O6	129 C6H9O3	85 C4H5O2	71 C4H7O
625 C28H33O16
479 C22H23O12	C6H10O4
317 C16H13O7	C12H20O9	C6H10O5
302 C15H10O7	C13H23O9	C7H13O5	CH3
285 C15H9O6	C13H24O10	C7H14O6	CH4O	HO
129 C6H9O3	C22H24O13	C16H14O9	C10H4O4	C9HO4	C9O3
85 C4H5O2	C24H28O14	C18H18O10	C12H8O5	C11H5O5	C11H4O4	C2H4O
71 C4H7O	C24H26O15	C18H16O11	C12H6O6	C11H3O6	C11H2O5	C2H2O2

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