Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Procaine

[edit] Top 10 Similar Molecules of Procaine

Ranking	About scoring
KOX00886p Score:14.95 KOX00840p Score:14.95 KOX00673p Score:14.95 KOX00034p Score:14.95 KOX00006p Score:14.95 KOX00766p Score:11.41 KOX00371p Score:11.41 KOX00131p Score:11.41 KOX00855p Score:11.32 KOX00877p Score:10.26	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 C9H10NO2: KOX00855p Pages Related to Peak C7H6NO: KOX00006p KOX00034p KOX00131p KOX00371p KOX00385p KOX00628p KOX00673p KOX00748p KOX00766p KOX00840p KOX00855p KOX00858p KOX00886p Pages Related to Peak C6H14N: KOX00104p KOX00691p KOX00796p Pages Related to Peak C6H7N: KOX00006p KOX00032p KOX00034p KOX00073p KOX00107p KOX00118p KOX00221p KOX00231p KOX00302p KOX00325p KOX00359p KOX00467p KOX00491p KOX00510p KOX00582p KOX00604p KOX00637p KOX00647p KOX00648p KOX00657p KOX00673p KOX00694p KOX00703p KOX00704p KOX00720p KOX00767p KOX00788p KOX00789p KOX00797p KOX00800p KOX00804p KOX00809p KOX00811p KOX00823p KOX00824p KOX00831p KOX00840p KOX00863p KOX00866p KOX00877p KOX00879p KOX00886p KOX00912p Pages Related to Peak C6H6N: KOX00006p KOX00032p KOX00034p KOX00107p KOX00118p KOX00131p KOX00221p KOX00231p KOX00302p KOX00371p KOX00467p KOX00577p KOX00620p KOX00647p KOX00656p KOX00673p KOX00693p KOX00697p KOX00704p KOX00748p KOX00766p KOX00788p KOX00789p KOX00823p KOX00824p KOX00828p KOX00831p KOX00840p KOX00853p KOX00863p KOX00877p KOX00886p Pages Related to Peak C4H10N: KOX00024p KOX00029p KOX00079p KOX00100p KOX00233p KOX00464p KOX00478p KOX00623p KOX00641p KOX00648p KOX00653p KOX00654p KOX00655p KOX00669p KOX00676p KOX00762p KOX00773p KOX00818p KOX00820p KOX00848p KOX00856p KOX00861p KOX00862p KOX00908p 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 KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C13H21N2O2 (237)	C9H10NO2 (164)	d
C13H21N2O2 (237)	C7H6NO (120)	b
C13H21N2O2 (237)	C6H14N (100)	c
C13H21N2O2 (237)	C6H7N (93)	a,rad.
C13H21N2O2 (237)	C6H6N (92)	a
C13H21N2O2 (237)	C4H10N (72)	e
C9H10NO2 (164)	C7H6NO (120)	IT
C7H6NO (120)	C6H6N (92)	IT
C6H14N (100)	C4H10N (72)	IT

[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。

KOX00854p	237 C13H21N2O2	164 C9H10NO2	120 C7H6NO	100 C6H14N	93 C6H7N	92 C6H6N	72 C4H10N	65 C5H5
237 C13H21N2O2
164 C9H10NO2	C4H11N
120 C7H6NO	C6H15NO	C2H4O
100 C6H14N	C7H7NO2
93 C6H7N	C7H14NO2	C3H3O2		H7
92 C6H6N	C7H15NO2	C3H4O2	CO	H8	H
72 C4H10N	C9H11NO2	C5O2		C2H4
65 C5H5	C8H16N2O2	C4H5NO2	C2HNO	CH9N	CH2N	CHN

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

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@@ Line 2: / Line 2: @@
 &&C13H21N2O2&&C9H10NO2&&C7H6NO&&C6H14N&&C6H7N&&C6H6N&&C4H10N&&C5H5&&
-&&C13H21N2O2: C9H10NO2 C7H6NO C6H14N C6H7N C6H6N C4H10N C5H5**
+&&C13H21N2O2: C9H10NO2
-&&C9H10NO2: C7H6NO C6H7N C6H6N C4H10N* C5H5**
+d
-&&C7H6NO: C6H6N C5H5**
+&&C13H21N2O2: C7H6NO
-&&C6H14N: C6H7N* C6H6N* C4H10N C5H5*
+b
+&&C13H21N2O2: C6H14N
+c
+&&C13H21N2O2: C6H7N
+a,rad.
+&&C13H21N2O2: C6H6N
+a
+&&C13H21N2O2: C4H10N
+e
+&&C13H21N2O2: C5H5**
+&&C9H10NO2: C7H6NO
+IT
+&&C9H10NO2: C6H7N C6H6N C4H10N* C5H5**
+&&C7H6NO: C6H6N
+IT
+&&C7H6NO: C5H5**
+&&C6H14N: C6H7N* C6H6N*
+&&C6H14N: C4H10N
+IT
+&&C6H14N: C5H5*
 &&C6H7N: C6H6N* C5H5
 &&C6H6N: C5H5
 }}

IDs and Links
MassBank	Procaine
CAS	59-46-1
Keio ID	P190+

MassBank:KOX00854p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Procaine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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