MassBank:KOX00364p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ile

IDs and Links
MassBank	Ile
CAS	73-32-5
Keio ID	I008+

Top 10 Similar Molecules of Ile

Ranking	About scoring
KOX00838p Score:14.6 KOX00773p Score:13.59 KOX00469p Score:13.59 KOX00391p Score:13.59 KOX00295p Score:13.59 KOX00090p Score:13.59 KOX00043p Score:13.59 KOX00874p Score:12.07 KOX00875p Score:11.96 KOX00700p Score:11.96	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
C6H14NO2 (132)	C5H12N (86)	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。

KOX00364p	132 C6H14NO2	86 C5H12N	70 C4H8N	69 C5H9	58 C3H8N	57 C3H7N	56 C3H6N
132 C6H14NO2
86 C5H12N	CH2O2
70 C4H8N	C2H6O2	CH4
69 C5H9	CH5NO2	H3N
58 C3H8N	C3H6O2	C2H4	C
57 C3H7N	C3H7O2	C2H5	CH		H
56 C3H6N	C3H8O2	C2H6	CH2		H2	H

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