Ojima:KNA00339p

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
T065+ Score:21.16 M080+ Score:21.16 G003+ Score:21.16 G020+ Score:15.44 G021+ Score:10.05 M011+ Score:9.71 F008+ Score:9.71 G030+ Score:4.33 P082+ Score:4.33 P074+ 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。

Links

Page list for each fragment
Pages Related to Peak C6H14O9P:   G003+  G020+  M080+  T065+   Pages Related to Peak C6H12O8P:   G003+  M080+  T065+  G021+   Pages Related to Peak C6H10O7P:   F008+  G003+  G020+  M080+  T065+  M011+   Pages Related to Peak H4O4P:   D017+  D141+  F008+  G003+  G020+  M080+  P007+  P029+  P033+  S049+  T065+  G021+  G069+  M011+  P028+  P060+  P074+  P082+  G030+

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。

KNA00339p	261 C6H14O9P	243 C6H12O8P	225 C6H10O7P	99 H4O4P
261 C6H14O9P
243 C6H12O8P	H2O
225 C6H10O7P	H4O2	H2O
99 H4O4P	C6H10O5	C6H8O4	C6H6O3

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