Ojima:KOX00227n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Etidronate

IDs and Links
MassBank	Etidronate
CAS	2809-21-4
Keio ID	E010-

Top 10 Similar Molecules of Etidronate

Ranking	About scoring
P082+ Score:15 P028+ Score:15 P029+ Score:15 P007+ Score:15 D017+ Score:9.87 G030+ Score:9.46 D141+ Score:9.46 D113+ Score:9.46 A056+ Score:9.46 P084+ 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 C2H4O4P:   D017+  P007+  P029+  P028+  P082+   Pages Related to Peak H2O3P:   A056+  A131+  D017+  D113+  D141+  G003+  M080+  P007+  P029+  S049+  G021+  G069+  M011+  P028+  P060+  P074+  P082+  P084+  G030+   Pages Related to Peak O2P:   A056+  D113+  D141+  P007+  P029+  P028+  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。

KOX00227n	205 C2H7O7P2	123 C2H4O4P	81 H2O3P	63 O2P
205 C2H7O7P2
123 C2H4O4P	H3O3P
81 H2O3P	C2H5O4P	C2H2O
63 O2P	C2H7O5P	C2H4O2	H2O

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