Ojima:PR100572n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Inosine-5'-diphosphate

IDs and Links
MassBank	Inosine-5'-diphosphate
CAS	86-04-4
Keio ID

Top 10 Similar Molecules of Inosine-5'-diphosphate

Ranking	About scoring
X012+ Score:5.38 P157+ Score:5.38 G088+ Score:5.38 G015+ Score:5.38 D057+ Score:5.38 A071+ Score:5.38 M030+ Score:5.13 C028+ Score:5.13 Z002+ Score:5.13 M104+ Score:5.13	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 C5H3N4O:   A071+  D057+  G015+  G088+  P157+  X012+   Pages Related to Peak C4H2N3:   A007+  H014+  M054+  M074+  M104+  Z002+  C028+  M030+

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。

PR100572n	427 C10H13N4O11P2	409 C10H11N4O10P2	329 C10H10N4O7P	159 HO6P2	135 C5H3N4O	97 H2O4P	92 C4H2N3	79 O3P
427 C10H13N4O11P2
409 C10H11N4O10P2	H2O
329 C10H10N4O7P	H3O4P	HO3P
159 HO6P2	C10H12N4O5	C10H10N4O4
135 C5H3N4O	C5H10O10P2	C5H8O9P2	C5H7O6P
97 H2O4P	C10H11N4O7P	C10H9N4O6P	C10H8N4O3
92 C4H2N3	C6H11NO11P2	C6H9NO10P2	C6H8NO7P		CHNO
79 O3P	C10H13N4O8P	C10H11N4O7P	C10H10N4O4	HO3P		H2O

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