Ojima:KOX00027p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adenylosuccinate

IDs and Links
MassBank	Adenylosuccinate
CAS	19046-78-7
Keio ID	A037+

Top 10 Similar Molecules of Adenylosuccinate

Ranking	About scoring
A037+ Score:57.31 Z002+ Score:10.85 F014+ Score:10.85 D067+ Score:10.38 A020+ Score:10.38 A007+ Score:10.38 B015+ Score:5.72 P075+ Score:5.25 O015+ Score:5.25 G020+ Score:5.25	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 C14H19N5O11P:   A037+   Pages Related to Peak C9H10N5O4:   A037+   Pages Related to Peak C9H8N5O3:   A037+   Pages Related to Peak C8H8N5O2:   A037+   Pages Related to Peak C7H6N5O2:   A037+   Pages Related to Peak C8H6N5O:   A037+   Pages Related to Peak C7H8N5:   A037+   Pages Related to Peak C6H6N5:   A037+  B015+  F014+  Z002+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+   Pages Related to Peak C5H5O2:   A007+  A133+  G020+  O015+  P075+  A020+  D067+

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。

KOX00027p	464 C14H19N5O11P	252 C9H10N5O4	234 C9H8N5O3	206 C8H8N5O2	192 C7H6N5O2	188 C8H6N5O	162 C7H8N5	148 C6H6N5	136 C5H6N5	97 C5H5O2
464 C14H19N5O11P
252 C9H10N5O4	C5H9O7P
234 C9H8N5O3	C5H11O8P	H2O
206 C8H8N5O2	C6H11O9P	CH2O2	CO
192 C7H6N5O2	C7H13O9P	C2H4O2	C2H2O	CH2
188 C8H6N5O	C6H13O10P	CH4O3	CH2O2	H2O
162 C7H8N5	C7H11O11P	C2H2O4	C2O3	CO2
148 C6H6N5	C8H13O11P	C3H4O4	C3H2O3	C2H2O2	CO2	C2O	CH2
136 C5H6N5	C9H13O11P	C4H4O4	C4H2O3	C3H2O2	C2O2	C3O	C2H2	C
97 C5H5O2	C9H14N5O9P	C4H5N5O2	C4H3N5O	C3H3N5	C2HN5

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