Ojima:KOX00891p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tioconazole

IDs and Links
MassBank	Tioconazole
CAS	65899-73-2
Keio ID	T123+

Top 10 Similar Molecules of Tioconazole

Ranking	About scoring
T123+ Score:24.24 T027+ Score:4.33 P095+ Score:4.33 P084+ Score:4.33 M030+ Score:4.33 I046+ Score:4.33 H025+ Score:4.33 D183+ Score:4.33 C028+ Score:4.33 Z001+ 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 C16H14Cl3N2OS:   T123+   Pages Related to Peak C12H8Cl3S:   T123+   Pages Related to Peak C5H4ClS:   T123+   Pages Related to Peak C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+

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。

KOX00891p	387 C16H14Cl3N2OS	289 C12H8Cl3S	131 C5H4ClS	69 C3H5N2
387 C16H14Cl3N2OS
289 C12H8Cl3S	C4H6N2O
131 C5H4ClS	C11H10Cl2N2O	C7H4Cl2
69 C3H5N2	C13H9Cl3OS

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