MassBank:KOX00639p

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Ion Frequency

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3-Aminopropionitrile

IDs and Links
MassBank	3-Aminopropionitrile
CAS	151-18-8
Keio ID	A044+

Top 10 Similar Molecules of 3-Aminopropionitrile

Ranking	About scoring
KOX00251p Score:9.06 KOX00894p Score:5.53 KOX00781p Score:5.53 KOX00754p Score:5.53 KOX00664p Score:5.53 KOX00913p Score:3.52 KOX00911p Score:3.52 KOX00878p Score:3.52 KOX00876p Score:3.52 KOX00846p Score:3.52	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
C3H7N2 (71)	C3H4N (54)	a

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。

KOX00639p	71 C3H7N2	54 C3H4N
71 C3H7N2
54 C3H4N	H3N

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