Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

4-Aminoindole

[edit] Top 10 Similar Molecules of 4-Aminoindole

Ranking	About scoring
KOX00638p Score:22.77 KOX00912p Score:22.61 KOX00879p Score:22.61 KOX00866p Score:22.61 KOX00811p Score:22.61 KOX00797p Score:22.61 KOX00604p Score:22.61 KOX00231p Score:20.19 KOX00809p Score:18.5 KOX00720p Score:18.36	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 C8H9N2: KOX00231p KOX00638p KOX00694p Pages Related to Peak C8H7N: KOX00325p KOX00359p KOX00374p KOX00377p KOX00379p KOX00381p KOX00424p KOX00445p KOX00582p KOX00604p KOX00647p KOX00723p KOX00797p KOX00798p KOX00809p KOX00811p KOX00832p KOX00866p KOX00879p KOX00912p Pages Related to Peak C8H6N: KOX00456p KOX00638p KOX00657p Pages Related to Peak C7H8N: KOX00231p KOX00385p KOX00424p KOX00433p KOX00456p KOX00491p KOX00510p KOX00536p KOX00604p KOX00638p KOX00647p KOX00697p KOX00719p KOX00720p KOX00797p KOX00798p KOX00800p KOX00809p KOX00811p KOX00834p KOX00857p KOX00866p KOX00879p KOX00912p Pages Related to Peak C7H6N: KOX00236p KOX00359p KOX00379p KOX00381p KOX00422p KOX00491p KOX00510p KOX00604p KOX00628p KOX00647p KOX00657p KOX00670p KOX00713p KOX00766p KOX00797p KOX00800p KOX00804p KOX00808p KOX00809p KOX00811p KOX00817p KOX00832p KOX00840p KOX00860p KOX00866p KOX00872p KOX00877p KOX00878p KOX00879p KOX00912p Pages Related to Peak C6H7N: KOX00006p KOX00032p KOX00034p KOX00073p KOX00107p KOX00118p KOX00221p KOX00231p KOX00302p KOX00325p KOX00359p KOX00467p KOX00491p KOX00510p KOX00582p KOX00604p 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 C7H5: KOX00160p KOX00236p KOX00325p KOX00328p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00582p KOX00604p KOX00638p KOX00719p KOX00720p KOX00767p KOX00797p KOX00798p KOX00811p KOX00866p KOX00879p KOX00912p Pages Related to Peak C6H7: KOX00043p KOX00053p KOX00126p KOX00160p KOX00231p KOX00236p KOX00456p KOX00485p KOX00536p KOX00645p KOX00671p KOX00682p KOX00697p KOX00703p KOX00719p KOX00720p KOX00725p KOX00770p KOX00784p KOX00795p KOX00807p KOX00814p KOX00828p KOX00834p KOX00865p KOX00882p KOX00886p KOX00892p KOX00902p Pages Related to Peak C6H5: KOX00006p KOX00034p KOX00041p KOX00043p KOX00053p KOX00064p KOX00073p KOX00118p KOX00120p KOX00122p KOX00126p KOX00189p KOX00195p KOX00221p KOX00231p KOX00236p KOX00328p KOX00359p KOX00368p KOX00371p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00456p KOX00471p KOX00485p KOX00491p KOX00501p KOX00510p KOX00514p KOX00536p KOX00558p KOX00580p KOX00582p KOX00604p KOX00616p KOX00628p KOX00638p KOX00643p KOX00645p KOX00646p KOX00649p KOX00670p KOX00671p KOX00673p KOX00674p KOX00676p KOX00694p KOX00697p KOX00703p KOX00705p KOX00713p KOX00719p KOX00720p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00762p KOX00763p KOX00766p KOX00767p KOX00769p KOX00770p KOX00784p KOX00789p KOX00795p KOX00797p KOX00804p KOX00805p KOX00807p KOX00808p KOX00809p KOX00811p KOX00814p KOX00817p KOX00819p KOX00824p KOX00828p KOX00830p KOX00832p KOX00834p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C8H9N2 (133)	C8H7N (117)	b,rad.
C8H9N2 (133)	C8H6N (116)	b
C8H9N2 (133)	C7H8N (106)	a
C8H9N2 (133)	C7H6N (104)	a
C8H9N2 (133)	C6H7N (93)	e,-NH3,rad.

[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。

KOX00637p	133 C8H9N2	117 C8H7N	116 C8H6N	106 C7H8N	104 C7H6N	93 C6H7N	89 C7H5	79 C6H7	77 C6H5
133 C8H9N2
117 C8H7N	H2N
116 C8H6N	H3N	H
106 C7H8N	CHN
104 C7H6N	CH3N	CH	C	H2
93 C6H7N	C2H2N	C2		CH
89 C7H5	CH4N2	CH2N	CHN	H3N	HN
79 C6H7	C2H2N2	C2N		CHN		N
77 C6H5	C2H4N2	C2H2N	C2HN	CH3N	CHN	H2N	C	H2

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@@ Line 3: / Line 3: @@
 &&C8H9N2: C8H7N
-b
+b,rad.
 &&C8H9N2: C8H6N
 b
@@ Line 11: / Line 11: @@
 a
 &&C8H9N2: C6H7N
-e,-NH3
+e,-NH3,rad.
 &&C8H9N2: C7H5** C6H7** C6H5**
 &&C8H7N: C8H6N* C7H6N* C6H7N* C7H5 C6H7** C6H5**

IDs and Links
MassBank	4-Aminoindole
CAS	5192-23-4
Keio ID	A035+

MassBank:KOX00637p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 4-Aminoindole

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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