MassBank:KOX00670p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Benzamidine

IDs and Links
MassBank	Benzamidine
CAS	618-39-3
Keio ID	B004+

Top 10 Similar Molecules of Benzamidine

Ranking	About scoring
KOX00912p Score:9.61 KOX00879p Score:9.61 KOX00872p Score:9.61 KOX00866p Score:9.61 KOX00860p Score:9.61 KOX00840p Score:9.61 KOX00832p Score:9.61 KOX00811p Score:9.61 KOX00809p Score:9.61 KOX00797p Score:9.61	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。

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Annotations

Precursor	Product	Comments
C7H9N2 (121)	C7H6N (104)	b
C7H9N2 (121)	C6H5 (77)	a
C7H9N2 (121)	C4H3 (51)	c

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。

KOX00670p	121 C7H9N2	104 C7H6N	77 C6H5	51 C4H3
121 C7H9N2
104 C7H6N	H3N
77 C6H5	CH4N2	CHN
51 C4H3	C3H6N2	C3H3N	C2H2

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