MassBank:KOX00691p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cyclohexylamine

IDs and Links
MassBank	Cyclohexylamine
CAS	108-91-8
Keio ID	C114+

Top 10 Similar Molecules of Cyclohexylamine

Ranking	About scoring
KOX00104p Score:15.17 KOX00784p Score:10.63 KOX00736p Score:10.63 KOX00682p Score:9.23 KOX00558p Score:9.23 KOX00491p Score:7.34 KOX00292p Score:7.34 KOX00752p Score:7.15 KOX00672p Score:7.15 KOX00079p Score:7.15	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
C6H14N (100)	C6H11 (83)	b
C6H14N (100)	C4H7 (55)	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。

KOX00691p	100 C6H14N	83 C6H11	67 C5H7	55 C4H7	53 C4H5
100 C6H14N
83 C6H11	H3N
67 C5H7	CH7N	CH4
55 C4H7	C2H7N	C2H4	C
53 C4H5	C2H9N	C2H6	CH2	H2

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