Ojima:KOX00609n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tropate

IDs and Links
MassBank	Tropate
CAS	529-64-6 552-63-6
Keio ID	T059-

Top 10 Similar Molecules of Tropate

Ranking	About scoring
T008+ Score:12.77 A080+ Score:12.77 A137+ Score:12.37 S040+ Score:9.5 E007+ Score:9.5 T002+ Score:9.5 P070+ Score:8.4 E033+ Score:8.4 T031+ Score:7.23 T030+ Score:7.23	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 C9H9O3:   L007+  T002+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C8H9O:   P075+  A080+  E007+  S040+  T008+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   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。

KOX00609n	165 C9H9O3	135 C8H7O2	121 C8H9O	103 C8H7	91 C7H7	59 C2H3O2	45 CHO2
165 C9H9O3
135 C8H7O2	CH2O
121 C8H9O	CO2
103 C8H7	CH2O3	O2	H2O
91 C7H7	C2H2O3	CO2	CH2O	C
59 C2H3O2	C7H6O	C6H4
45 CHO2	C8H8O	C7H6				CH2

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