MassBank:KOX00732p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Fluoroaniline

IDs and Links
MassBank	4-Fluoroaniline
CAS	371-40-4
Keio ID	F048+

Top 10 Similar Molecules of 4-Fluoroaniline

Ranking	About scoring
KOX00859p Score:3.77 KOX00847p Score:3.77 KOX00846p Score:3.77 KOX00845p Score:3.77 KOX00841p Score:3.77 KOX00840p Score:3.77 KOX00832p Score:3.77 KOX00829p Score:3.77 KOX00826p Score:3.77 KOX00824p Score:3.77	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
C6H7FN (112)	C6H4F (95)	a
C6H7FN (112)	C3H2N (52)	b[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。

KOX00732p	112 C6H7FN	95 C6H4F	52 C3H2N
112 C6H7FN
95 C6H4F	H3N
52 C3H2N	C3H5F

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