Ojima:MT000129p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
T003+ Score:19.23 M078+ Score:16.04 P070+ Score:15.3 A137+ Score:15.3 S041+ Score:13.73 T054+ Score:13.51 P122+ Score:11.44 E007+ Score:9.58 C057+ Score:9.36 N044+ Score:7.79	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 C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C11H10NO2:   P122+  T003+  A137+  P070+   Pages Related to Peak C11H8NO:   C057+  P122+  T003+  T054+   Pages Related to Peak C10H10NO:   M078+  E007+  S041+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   Pages Related to Peak C8H8N:   A067+  C057+  E033+  E034+  H027+  H139+  I025+  I050+  M040+  M053+  P002+  P059+  P075+  T002+  T003+  T054+  A068+  A069+  A123+  A137+  B013+  C043+  D039+  D122+  E007+  K004+  M101+  M103+  M169+  M172+  N016+  P070+  Q001+  S041+  S058+  T030+  T031+  T032+  N044+

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。

MT000129p	206 C11H12NO3	188 C11H10NO2	170 C11H8NO	160 C10H10NO	130 C9H8N	118 C8H8N
206 C11H12NO3
188 C11H10NO2	H2O
170 C11H8NO	H4O2	H2O
160 C10H10NO	CH2O2	CO
130 C9H8N	C2H4O3	C2H2O2	C2O	CH2O
118 C8H8N	C3H4O3	C3H2O2	C3O	C2H2O	C

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