MassBank:KOX00819p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Octylamine

IDs and Links
MassBank	Octylamine
CAS	111-86-4
Keio ID	O007+

Top 10 Similar Molecules of Octylamine

Ranking	About scoring
KOX00633p Score:7.92 KOX00892p Score:7.1 KOX00705p Score:7.1 KOX00616p Score:7.1 KOX00536p Score:7.1 KOX00471p Score:7.1 KOX00758p Score:6.63 KOX00875p Score:6.14 KOX00865p Score:6.14 KOX00830p Score:6.14	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
C8H20N (130)	C6H5 (77)	a
C8H20N (130)	C5H11 (71)	b
C8H20N (130)	C5H7 (67)	b
C8H20N (130)	C4H9 (57)	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。

KOX00819p	130 C8H20N	77 C6H5	71 C5H11	67 C5H7	57 C4H9
130 C8H20N
77 C6H5	C2H15N
71 C5H11	C3H9N
67 C5H7	C3H13N		H4
57 C4H9	C4H11N		CH2

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