MassBank:KOX00391p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Leu

IDs and Links
MassBank	Leu
CAS	61-90-5
Keio ID	L003+

Top 10 Similar Molecules of Leu

Ranking	About scoring
KOX00773p Score:28.83 KOX00043p Score:28.83 KOX00469p Score:19.31 KOX00364p Score:13.59 KOX00295p Score:13.59 KOX00090p Score:13.59 KOX00558p Score:13.16 KOX00233p Score:11.63 KOX00822p Score:8.34 KOX00685p Score:8.34	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)	C6H11O2 (115)	b
C6H14NO2 (132)	C5H12N (86)	a
C6H14NO2 (132)	C4H7 (55)	d

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。

KOX00391p	132 C6H14NO2	115 C6H11O2	97 C6H9O	86 C5H12N	69 C5H9	55 C4H7
132 C6H14NO2
115 C6H11O2	H3N
97 C6H9O	H5NO	H2O
86 C5H12N	CH2O2
69 C5H9	CH5NO2	CH2O2	CO	H3N
55 C4H7	C2H7NO2	C2H4O2	C2H2O	CH5N	CH2

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