Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

p-Nitroaniline

[edit] Top 10 Similar Molecules of p-Nitroaniline

Ranking	About scoring
KOX00620p Score:18.49 KOX00823p Score:15.4 KOX00788p Score:15.4 KOX00886p Score:10.26 KOX00877p Score:10.26 KOX00863p Score:10.26 KOX00854p Score:10.26 KOX00840p Score:10.26 KOX00831p Score:10.26 KOX00789p 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 C6H7N2O2: KOX00620p Pages Related to Peak C6H7N: KOX00006p KOX00032p KOX00034p KOX00073p KOX00107p KOX00118p KOX00221p KOX00231p KOX00302p KOX00325p KOX00359p 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 KOX00854p KOX00863p KOX00866p KOX00877p KOX00879p KOX00886p KOX00912p Pages Related to Peak C6H6N: KOX00006p KOX00032p KOX00034p KOX00107p KOX00118p KOX00131p KOX00221p KOX00231p KOX00302p KOX00371p KOX00577p KOX00620p KOX00647p KOX00656p KOX00673p KOX00693p KOX00697p KOX00704p KOX00748p KOX00766p KOX00788p KOX00789p KOX00823p KOX00824p KOX00828p KOX00831p KOX00840p KOX00853p KOX00854p KOX00863p KOX00877p KOX00886p Pages Related to Peak C4H4N: KOX00056p KOX00308p KOX00317p KOX00388p KOX00620p KOX00721p KOX00788p KOX00823p 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 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 KOX00883p KOX00886p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C6H7N2O2 (139)	C6H7N (93)	a,rad.
C6H7N2O2 (139)	C6H6N (92)	a

[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。

KOX00467p	139 C6H7N2O2	93 C6H7N	92 C6H6N	66 C4H4N	65 C5H5
139 C6H7N2O2
93 C6H7N	NO2
92 C6H6N	HNO2	H
66 C4H4N	C2H3NO2	C2H3	C2H2
65 C5H5	CH2N2O2	CH2N	CHN

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

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@@ Line 2: / Line 2: @@
 &&C6H7N2O2&&C6H7N&&C6H6N&&C4H4N&&C5H5&&
-&&C6H7N2O2: C6H7N C6H6N C4H4N** C5H5**
+&&C6H7N2O2: C6H7N
+a,rad.
+&&C6H7N2O2: C6H6N
+a
+&&C6H7N2O2: C4H4N** C5H5**
 &&C6H7N: C6H6N* C4H4N C5H5
 &&C6H6N: C4H4N C5H5
 }}

IDs and Links
MassBank	p-Nitroaniline
CAS	100-01-6
Keio ID	N012+

MassBank:KOX00467p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of p-Nitroaniline

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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