Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Muscimol

[edit] Top 10 Similar Molecules of Muscimol

Ranking	About scoring
KOX00724p Score:9.51 KOX00499p Score:6.23 KOX00834p Score:5.53 KOX00737p Score:5.53 KOX00504p Score:5.53 KOX00279p Score:5.53 KOX00251p Score:5.53 KOX00900p Score:3.28 KOX00894p Score:3.28 KOX00861p Score:3.28	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 C4H7N2O2: KOX00251p KOX00279p KOX00504p KOX00737p KOX00834p Pages Related to Peak C4H4NO2: KOX00499p KOX00724p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p 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 KOX00818p KOX00823p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C4H7N2O2 (115)	C4H4NO2 (98)	a
C4H7N2O2 (115)	C3H4NO2 (86)	b

[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。

KOX00801p	115 C4H7N2O2	98 C4H4NO2	86 C3H4NO2	68 C4H4O	67 C4H3O	55 C4H7
115 C4H7N2O2
98 C4H4NO2	H3N
86 C3H4NO2	CH3N	C
68 C4H4O	H3N2O	NO
67 C4H3O	H4N2O	HNO		H
55 C4H7	N2O2

(pos/neg)<<First Page (pos/neg)<Previous Page

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@@ Line 2: / Line 2: @@
 &&C4H7N2O2&&C4H4NO2&&C3H4NO2&&C4H4O&&C4H3O&&C4H7&&
-&&C4H7N2O2: C4H4NO2 C3H4NO2 C4H4O** C4H3O** C4H7**
+&&C4H7N2O2: C4H4NO2
+a
+&&C4H7N2O2: C3H4NO2
+b
+&&C4H7N2O2: C4H4O** C4H3O** C4H7**
 &&C4H4NO2: C3H4NO2* C4H4O C4H3O
 &&C4H4O: C4H3O*
 }}

IDs and Links
MassBank	Muscimol
CAS	2763-96-4
Keio ID	M115+

MassBank:KOX00801p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Muscimol

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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