Ojima:KO008913p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
C208+ Score:44.2 P105+ Score:4.38 M077+ Score:4.38 M076+ Score:4.38 I051+ Score:4.38 H069+ Score:4.38 H058+ Score:4.38 B026+ Score:4.38 U011+ Score:4.38 P068+ Score:4.38	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 C10H17N6S:   C208+   Pages Related to Peak C9H15N4S:   C208+   Pages Related to Peak C7H14N3S:   C208+   Pages Related to Peak C5H11N4S:   C208+   Pages Related to Peak C4H9N2S:   C208+   Pages Related to Peak C3H7N2S:   C208+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+

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。

KO008913p	253 C10H17N6S	211 C9H15N4S	172 C7H14N3S	159 C5H11N4S	117 C4H9N2S	103 C3H7N2S	95 C5H7N2
253 C10H17N6S
211 C9H15N4S	CH2N2
172 C7H14N3S	C3H3N3	C2HN
159 C5H11N4S	C5H6N2	C4H4
117 C4H9N2S	C6H8N4	C5H6N2	C3H5N	CH2N2
103 C3H7N2S	C7H10N4	C6H8N2	C4H7N	C2H4N2	CH2
95 C5H7N2	C5H10N4S	C4H8N2S	C2H7NS	H4N2S

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