Ojima:MT000125p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
G069+ Score:35.83 P074+ Score:22.56 C044+ Score:10.09 P192+ Score:4.15 P034+ Score:4.15 L057+ Score:4.15 L034+ Score:4.15 C032+ Score:4.15 B040+ Score:4.15 A060+ Score:4.15	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 C8H21NO6P:   G069+   Pages Related to Peak C5H12O6P:   G069+   Pages Related to Peak C5H15NO4P:   G069+  P074+   Pages Related to Peak C2H6O4P:   G069+  P074+   Pages Related to Peak C5H14NO:   C044+  G069+  P074+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+

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。

MT000125p	258 C8H21NO6P	199 C5H12O6P	184 C5H15NO4P	125 C2H6O4P	104 C5H14NO	86 C5H12N
258 C8H21NO6P
199 C5H12O6P	C3H9N
184 C5H15NO4P	C3H6O2
125 C2H6O4P	C6H15NO2	C3H6O2	C3H9N
104 C5H14NO	C3H7O5P		HO3P
86 C5H12N	C3H9O6P		H3O4P		H2O

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