MassBank:KOX00690p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Cyanopyridine

IDs and Links
MassBank	2-Cyanopyridine
CAS	100-70-9
Keio ID	C089+

Top 10 Similar Molecules of 2-Cyanopyridine

Ranking	About scoring
KOX00809p Score:15.98 KOX00760p Score:12.2 KOX00859p Score:10.44 KOX00847p Score:10.44 KOX00840p Score:10.44 KOX00832p Score:10.44 KOX00826p Score:10.44 KOX00810p Score:10.44 KOX00745p Score:10.44 KOX00730p Score:10.44	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
C6H5N2 (105)	C5H4N (78)	a
C6H5N2 (105)	C3H2N (52)	b
C6H5N2 (105)	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。

KOX00690p	105 C6H5N2	78 C5H4N	52 C3H2N	51 C4H3
105 C6H5N2
78 C5H4N	CHN
52 C3H2N	C3H3N	C2H2
51 C4H3	C2H2N2	CHN

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