Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Tolmetin

[edit] Top 10 Similar Molecules of Tolmetin

Ranking	About scoring
KOX00880p Score:10.79 KOX00870p Score:10.79 KOX00859p Score:10.79 KOX00725p Score:10.79 KOX00722p Score:10.79 KOX00580p Score:10.79 KOX00236p Score:10.79 KOX00189p Score:10.79 KOX00840p Score:9.11 KOX00836p Score:7.9	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 C8H8NO3: KOX00748p KOX00840p Pages Related to Peak C8H7O: KOX00189p KOX00236p KOX00398p KOX00580p KOX00658p KOX00667p KOX00722p KOX00725p KOX00836p KOX00859p KOX00870p KOX00880p KOX00882p KOX00895p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00126p KOX00154p KOX00189p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00424p KOX00433p KOX00456p KOX00471p KOX00485p KOX00514p KOX00558p KOX00580p KOX00582p KOX00604p KOX00635p KOX00645p KOX00647p KOX00649p KOX00658p KOX00667p KOX00674p KOX00694p KOX00703p KOX00713p KOX00718p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00766p KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p KOX00834p KOX00836p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00900p Pages Related to Peak C5H5: KOX00006p KOX00032p KOX00034p KOX00041p KOX00073p KOX00107p KOX00118p KOX00120p KOX00131p KOX00154p KOX00189p KOX00201p KOX00221p KOX00231p KOX00236p KOX00254p KOX00302p KOX00328p KOX00359p KOX00371p KOX00377p KOX00406p KOX00422p KOX00456p KOX00467p KOX00485p KOX00491p KOX00510p KOX00514p KOX00536p KOX00558p KOX00577p KOX00580p KOX00604p KOX00620p KOX00628p KOX00635p KOX00645p KOX00647p KOX00656p KOX00673p KOX00674p KOX00689p KOX00693p KOX00694p KOX00697p KOX00704p KOX00713p KOX00718p KOX00719p KOX00720p KOX00722p KOX00724p KOX00725p KOX00766p KOX00775p KOX00784p KOX00788p KOX00789p KOX00790p KOX00797p KOX00805p KOX00807p KOX00809p KOX00811p KOX00814p KOX00823p KOX00828p KOX00831p KOX00834p KOX00840p KOX00853p KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C15H16NO3 (258)	C8H8NO3 (166)	c
C15H16NO3 (258)	C8H7O (119)	a
C15H16NO3 (258)	C7H7 (91)	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。

KOX00883p	258 C15H16NO3	166 C8H8NO3	119 C8H7O	91 C7H7	65 C5H5
258 C15H16NO3
166 C8H8NO3	C7H8
119 C8H7O	C7H9NO2	HNO2
91 C7H7	C8H9NO3	CHNO3	CO
65 C5H5	C10H11NO3	C3H3NO3	C3H2O	C2H2

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

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@@ Line 2: / Line 2: @@
 &&C15H16NO3&&C8H8NO3&&C8H7O&&C7H7&&C5H5&&
-&&C15H16NO3: C8H8NO3 C8H7O C7H7
+&&C15H16NO3: C8H8NO3
+c
+&&C15H16NO3: C8H7O
+a
+&&C15H16NO3: C7H7
+b
 &&C8H8NO3: C8H7O* C7H7*
 &&C8H7O: C7H7
 &&C7H7: C5H5
 }}

IDs and Links
MassBank	Tolmetin
CAS	26171-23-3
Keio ID	T044+

MassBank:KOX00883p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Tolmetin

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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