Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

1,3-Phenylenediamine

[edit] Top 10 Similar Molecules of 1,3-Phenylenediamine

Ranking	About scoring
KOX00788p Score:19.26 KOX00467p Score:15.4 KOX00863p Score:14.13 KOX00840p Score:14.13 KOX00647p Score:14.13 KOX00302p Score:14.13 KOX00231p Score:14.13 KOX00107p Score:14.13 KOX00032p Score:14.13 KOX00620p Score:11.85	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 C6H9N2: KOX00086p KOX00791p KOX00793p KOX00911p 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 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 KOX00467p KOX00577p KOX00620p KOX00647p KOX00656p KOX00673p KOX00693p KOX00697p KOX00704p KOX00748p KOX00766p KOX00788p KOX00789p KOX00824p KOX00828p KOX00831p KOX00840p KOX00853p KOX00854p KOX00863p KOX00877p KOX00886p Pages Related to Peak C5H6N: KOX00032p KOX00107p KOX00131p KOX00201p KOX00231p KOX00302p KOX00385p KOX00462p KOX00510p KOX00531p KOX00547p KOX00577p KOX00647p KOX00676p KOX00720p KOX00736p KOX00739p KOX00748p KOX00752p KOX00757p KOX00760p KOX00775p KOX00788p KOX00810p KOX00811p KOX00825p KOX00840p KOX00853p KOX00863p KOX00911p KOX00912p Pages Related to Peak C4H4N: KOX00056p KOX00308p KOX00317p KOX00388p KOX00467p KOX00620p KOX00721p KOX00788p 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 KOX00828p KOX00831p KOX00834p KOX00840p KOX00853p KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p 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 KOX00801p KOX00818p KOX00830p KOX00857p KOX00861p KOX00894p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C6H9N2 (109)	C6H7N (93)	a,rad.
C6H9N2 (109)	C6H6N (92)	a
C6H9N2 (109)	C5H6N (80)	b
C6H9N2 (109)	C4H4N (66)	c[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。

KOX00823p	109 C6H9N2	93 C6H7N	92 C6H6N	80 C5H6N	66 C4H4N	65 C5H5	55 C4H7
109 C6H9N2
93 C6H7N	H2N
92 C6H6N	H3N	H
80 C5H6N	CH3N	CH	C
66 C4H4N	C2H5N	C2H3	C2H2	CH2
65 C5H5	CH4N2	CH2N	CHN	HN
55 C4H7	C2H2N2	C2N

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

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@@ Line 2: / Line 2: @@
 &&C6H9N2&&C6H7N&&C6H6N&&C5H6N&&C4H4N&&C5H5&&C4H7&&
-&&C6H9N2: C6H7N C6H6N C5H6N C4H4N
+&&C6H9N2: C6H7N
-&&C6H7N: C4H4N C5H5
+a,rad.
-&&C6H6N: C4H4N C5H5
+&&C6H9N2: C6H6N
+a
+&&C6H9N2: C5H6N
+b
+&&C6H9N2: C4H4N
+c[d]
+&&C6H9N2: C5H5**
+&&C6H7N: C6H6N* C5H6N* C4H4N C5H5
+&&C6H6N: C5H6N* C4H4N C5H5
+&&C5H6N: C4H4N* C5H5*
 }}

IDs and Links
MassBank	1,3-Phenylenediamine
CAS	25265-76-3 108-45-2
Keio ID	P035+

MassBank:KOX00823p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 1,3-Phenylenediamine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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