Ojima:PR100407p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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O-Phosphocholine

IDs and Links
MassBank	O-Phosphocholine
CAS	3616-04-4
Keio ID

Top 10 Similar Molecules of O-Phosphocholine

Ranking	About scoring
P074+ Score:26.89 G069+ Score:26.89 C044+ Score:10.09 G030+ Score:4.33 P082+ Score:4.33 P060+ Score:4.33 P028+ Score:4.33 M011+ Score:4.33 G021+ Score:4.33 T065+ 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 C5H15NO4P:   G069+  P074+   Pages Related to Peak C2H6O4P:   G069+  P074+   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 C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C4H9N:   C044+  G069+  P074+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00838

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。

PR100407p	184 C5H15NO4P	125 C2H6O4P	99 H4O4P	86 C5H12N	71 C4H9N
184 C5H15NO4P
125 C2H6O4P	C3H9N
99 H4O4P	C5H11N	C2H2
86 C5H12N	H3O4P
71 C4H9N	CH6O4P			CH3

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