MassBank:KOX00758p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isoamylamine

IDs and Links
MassBank	Isoamylamine
CAS	107-85-7
Keio ID	I039+

Top 10 Similar Molecules of Isoamylamine

Ranking	About scoring
KOX00819p Score:6.63 KOX00900p Score:3.28 KOX00894p Score:3.28 KOX00861p Score:3.28 KOX00857p Score:3.28 KOX00830p Score:3.28 KOX00823p Score:3.28 KOX00818p Score:3.28 KOX00801p Score:3.28 KOX00799p Score:3.28	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
C5H14N (88)	C5H11 (71)	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。

KOX00758p	88 C5H14N	71 C5H11	55 C4H7
88 C5H14N
71 C5H11	H3N
55 C4H7	CH7N	CH4

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