Ojima:KNA00469p

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

[show] Ranking	About scoring
P029+ Score:28.46 P028+ Score:21.82 P007+ Score:15.59 D017+ Score:15.59 P082+ Score:9.87 G030+ Score:4.33 P074+ Score:4.33 P060+ Score:4.33 M011+ Score:4.33 G069+ Score:4.33	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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[show] Page list for each fragment
Pages Related to Peak C3H8O7P:   P029+  P028+   Pages Related to Peak C3H6O6P:   D017+  P007+  P029+  P028+   Pages Related to Peak C2H6O5P:   D017+  P007+  P029+  P028+  P082+   Pages Related to Peak H4O4P:   D017+  D141+  F008+  G003+  G020+  M080+  P007+  P029+  P033+  S049+  T065+  G021+  G069+  M011+  P028+  P060+  P074+  P082+  G030+   Pages Related to Peak C3H4O3:   P029+

Annotations

Precursor-Product Relationship

[show] 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。

[hide] KNA00469p	187 C3H8O7P	169 C3H6O6P	141 C2H6O5P	99 H4O4P	88 C3H4O3
187 C3H8O7P
169 C3H6O6P	H2O
141 C2H6O5P	CH2O2	CO
99 H4O4P	C3H4O3	C3H2O2	C2H2O
88 C3H4O3	H4O4P	H2O3P

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