Ojima:PBX00012p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Coumaroylcholine

IDs and Links
MassBank	4-Coumaroylcholine
CAS
Keio ID

Top 10 Similar Molecules of 4-Coumaroylcholine

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。

PBX00012p	250 C14H20NO3	191 C11H11O3	147 C9H7O2	119 C8H7O	91 C7H7
250 C14H20NO3
191 C11H11O3	C3H9N
147 C9H7O2	C5H13NO	C2H4O
119 C8H7O	C6H13NO2	C3H4O2	CO
91 C7H7	C7H13NO3	C4H4O3	C2O2	CO

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