Latest revision as of 13:43, 4 November 2009

分子リスト
KOX PR PBX COX

Leu

[edit] 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。

[edit] Links

Page list for each fragment
Pages Related to Peak C6H14NO2: KOX00043p KOX00090p KOX00295p KOX00364p KOX00469p KOX00773p KOX00874p Pages Related to Peak C6H11O2: KOX00043p KOX00469p KOX00558p KOX00773p Pages Related to Peak C6H9O: KOX00043p KOX00773p Pages Related to Peak C5H12N: KOX00043p KOX00090p KOX00122p KOX00233p KOX00295p KOX00364p KOX00396p KOX00398p KOX00469p KOX00499p KOX00539p KOX00616p KOX00644p KOX00679p KOX00685p KOX00688p KOX00741p KOX00771p KOX00773p KOX00822p KOX00838p KOX00856p Pages Related to Peak C5H9: KOX00043p KOX00083p KOX00090p KOX00233p KOX00251p KOX00254p KOX00295p KOX00364p KOX00469p KOX00518p KOX00558p KOX00616p KOX00645p KOX00682p KOX00685p KOX00719p KOX00762p KOX00773p KOX00822p KOX00857p KOX00858p KOX00889p KOX00903p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00393p KOX00420p KOX00445p KOX00464p KOX00471p KOX00478p KOX00508p KOX00558p KOX00623p KOX00633p KOX00641p KOX00645p KOX00655p KOX00664p KOX00666p KOX00669p KOX00672p KOX00676p KOX00682p KOX00691p KOX00710p KOX00711p KOX00721p KOX00724p KOX00731p KOX00736p KOX00752p KOX00758p KOX00762p KOX00769p KOX00770p KOX00773p KOX00774p KOX00784p KOX00799p KOX00801p KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C6H14NO2 (132)	C6H11O2 (115)	b
C6H14NO2 (132)	C5H12N (86)	a
C6H14NO2 (132)	C4H7 (55)	d

[edit] 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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@@ Line 2: / Line 2: @@
 &&C6H14NO2&&C6H11O2&&C6H9O&&C5H12N&&C5H9&&C4H7&&
-&&C6H14NO2: C6H11O2 C5H12N C4H7
+&&C6H14NO2: C6H11O2
+b
+&&C6H14NO2: C6H9O**
+&&C6H14NO2: C5H12N
+a
+&&C6H14NO2: C5H9**
+&&C6H14NO2: C4H7
+d
 &&C6H11O2: C6H9O C5H9 C4H7
 &&C6H9O: C5H9 C4H7
 &&C5H12N: C5H9 C4H7
+&&C5H9: C4H7*
 }}

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

MassBank:KOX00391p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Leu

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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