Ojima:KNA00170p

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
T002+ Score:34.04 L007+ Score:22.27 T032+ Score:16.04 E033+ Score:10.09 A226+ Score:9.8 N028+ Score:5.53 M169+ Score:5.53 P113+ Score:5.53 K004+ Score:5.25 C043+ Score:5.25	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 C9H12NO3:   L007+  T002+   Pages Related to Peak C9H9O3:   L007+  T002+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+

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。

KNA00170p	182 C9H12NO3	165 C9H9O3	147 C9H7O2	136 C8H10NO	123 C7H7O2	119 C8H7O
182 C9H12NO3
165 C9H9O3	H3N
147 C9H7O2	H5NO	H2O
136 C8H10NO	CH2O2
123 C7H7O2	C2H5NO	C2H2O	C2
119 C8H7O	CH5NO2	CH2O2	CO	H3N

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