Ojima:PR101055p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sinapoyl malate

IDs and Links
MassBank	Sinapoyl malate
CAS	92344-58-6
Keio ID

Top 10 Similar Molecules of Sinapoyl malate

Ranking	About scoring
T032+ Score:14.06 T002+ Score:14.06 T044+ Score:7.83 S058+ Score:7.83 Q001+ Score:7.83 P070+ Score:7.83 E013+ Score:7.83 D185+ Score:7.83 A226+ Score:7.83 A137+ Score:7.83	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 C9H7O2:   T002+  T032+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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。

PR101055p	341 C15H17O9	207 C11H11O4	175 C10H7O3	147 C9H7O2	119 C8H7O	91 C7H7
341 C15H17O9
207 C11H11O4	C4H6O5
175 C10H7O3	C5H10O6	CH4O
147 C9H7O2	C6H10O7	C2H4O2	CO
119 C8H7O	C7H10O8	C3H4O3	C2O2	CO
91 C7H7	C8H10O9	C4H4O4	C3O3	C2O2	CO

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