Ojima:PR101042p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sinapic acid

IDs and Links
MassBank	Sinapic acid
CAS	530-59-6
Keio ID

Top 10 Similar Molecules of Sinapic acid

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。

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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。

PR101042p	225 C11H13O5	209 C10H9O5	207 C11H11O4	192 C10H8O4	175 C10H7O3	147 C9H7O2	119 C8H7O	91 C7H7
225 C11H13O5
209 C10H9O5	CH4
207 C11H11O4	H2O
192 C10H8O4	CH5O	HO	CH3
175 C10H7O3	CH6O2	H2O2	CH4O	HO
147 C9H7O2	C2H6O3	CH2O3	C2H4O2	CHO2	CO
119 C8H7O	C3H6O4	C2H2O4	C3H4O3	C2HO3	C2O2	CO
91 C7H7	C4H6O5	C3H2O5	C4H4O4	C3HO4	C3O3	C2O2	CO

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