Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Trp

[edit] Top 10 Similar Molecules of Trp

Ranking	About scoring
KOX00604p Score:52.53 KOX00325p Score:37.79 KOX00866p Score:37.58 KOX00879p Score:35.33 KOX00797p Score:35.33 KOX00377p Score:31.78 KOX00912p Score:28.01 KOX00811p Score:28.01 KOX00424p Score:26.65 KOX00798p Score:23.98	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 C11H10NO2: KOX00539p KOX00658p KOX00836p Pages Related to Peak C11H8NO: KOX00157p KOX00539p KOX00604p Pages Related to Peak C10H11N2: KOX00539p KOX00604p KOX00648p KOX00694p Pages Related to Peak C9H8NO: KOX00359p KOX00723p KOX00766p KOX00859p Pages Related to Peak C10H10N: KOX00238p KOX00325p KOX00377p KOX00604p KOX00657p KOX00694p KOX00797p KOX00879p Pages Related to Peak C9H10N: KOX00604p KOX00811p KOX00866p KOX00878p KOX00912p Pages Related to Peak C9H8N: KOX00238p KOX00325p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00604p KOX00647p KOX00738p KOX00763p KOX00797p KOX00798p KOX00809p KOX00811p KOX00860p KOX00866p KOX00879p KOX00912p Pages Related to Peak C8H8N: KOX00053p KOX00157p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00385p KOX00424p KOX00433p KOX00485p KOX00514p KOX00526p KOX00580p KOX00604p KOX00647p KOX00648p KOX00657p KOX00658p KOX00674p KOX00687p KOX00703p KOX00718p KOX00723p KOX00766p KOX00797p KOX00798p KOX00808p KOX00809p KOX00811p KOX00836p KOX00859p KOX00866p KOX00870p KOX00878p KOX00879p KOX00880p KOX00912p Pages Related to Peak C8H7N: KOX00325p KOX00359p KOX00374p KOX00377p KOX00379p KOX00381p KOX00424p KOX00445p KOX00604p KOX00637p KOX00647p KOX00723p KOX00797p KOX00798p KOX00809p KOX00811p KOX00832p KOX00866p KOX00879p KOX00912p Pages Related to Peak C9H7: KOX00122p KOX00325p KOX00328p KOX00377p KOX00379p KOX00424p KOX00433p KOX00471p KOX00604p KOX00674p KOX00767p KOX00797p KOX00798p KOX00807p KOX00808p KOX00866p KOX00879p Pages Related to Peak C6H7N: KOX00006p KOX00032p KOX00034p KOX00073p KOX00107p KOX00118p KOX00221p KOX00231p KOX00302p KOX00325p KOX00359p KOX00467p KOX00491p KOX00510p 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 C6H5O: KOX00213p KOX00325p KOX00656p KOX00689p KOX00767p KOX00815p KOX00840p KOX00866p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00126p KOX00154p KOX00189p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00424p KOX00433p KOX00456p KOX00471p KOX00485p KOX00514p KOX00558p KOX00580p 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 KOX00883p KOX00900p Pages Related to Peak C7H5: KOX00160p KOX00236p KOX00325p KOX00328p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00604p KOX00637p KOX00638p KOX00719p KOX00720p KOX00767p KOX00797p KOX00798p KOX00811p KOX00866p KOX00879p KOX00912p 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 KOX00604p KOX00616p KOX00628p KOX00637p 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 Pages Related to Peak C2H4NO2: KOX00012p KOX00014p KOX00024p KOX00029p KOX00051p KOX00069p KOX00086p KOX00122p KOX00140p KOX00167p KOX00251p KOX00254p KOX00268p KOX00288p KOX00308p KOX00335p KOX00343p KOX00393p KOX00406p KOX00454p KOX00499p KOX00593p KOX00646p KOX00676p KOX00702p KOX00729p KOX00748p KOX00766p

[edit] Annotations

Precursor	Product	Comments
C11H13N2O2 (205)	C11H10NO2 (188)	a
C11H13N2O2 (205)	C10H11N2 (159)	e
C11H13N2O2 (205)	C9H10N (132)	f
C11H13N2O2 (205)	C9H8N (130)	f
C11H13N2O2 (205)	C8H8N (118)	b
C11H13N2O2 (205)	C8H7N (117)	b,rad.
C11H13N2O2 (205)	C6H5 (77)	g
C11H13N2O2 (205)	C2H4NO2 (74)	c

[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。

KOX00582p	205 C11H13N2O2	188 C11H10NO2	170 C11H8NO	159 C10H11N2	146 C9H8NO	144 C10H10N	132 C9H10N	130 C9H8N	118 C8H8N	117 C8H7N	115 C9H7	93 C6H7N	93 C6H5O	91 C7H7	89 C7H5	77 C6H5	74 C2H4NO2
205 C11H13N2O2
188 C11H10NO2	H3N
170 C11H8NO	H5NO	H2O
159 C10H11N2	CH2O2
146 C9H8NO	C2H5NO	C2H2O	C2
144 C10H10N	CH3NO2	CO2		HN
132 C9H10N	C2H3NO2	C2O2		CHN		C
130 C9H8N	C2H5NO2	C2H2O2	C2O	CH3N	O	CH2	H2
118 C8H8N	C3H5NO2	C3H2O2	C3O	C2H3N	CO	C2H2	CH2	C
117 C8H7N	C3H6NO2	C3H3O2	C3HO	C2H4N	CHO	C2H3	CH3	CH	H
115 C9H7	C2H6N2O2	C2H3NO2	C2HNO	CH4N2	HNO	CH3N	H3N	HN
93 C6H7N	C5H6NO2	C5H3O2	C5HO	C4H4N	C3HO	C4H3	C3H3	C3H	C2H	C2
93 C6H5O	C5H8N2O	C5H5NO	C5H3N		C3H3N
91 C7H7	C4H6N2O2	C4H3NO2	C4HNO	C3H4N2	C2HNO	C3H3N	C2H3N	C2HN	CHN	CN	C2
89 C7H5	C4H8N2O2	C4H5NO2	C4H3NO	C3H6N2	C2H3NO	C3H5N	C2H5N	C2H3N	CH3N	CH2N	C2H2			H2
77 C6H5	C5H8N2O2	C5H5NO2	C5H3NO	C4H6N2	C3H3NO	C4H5N	C3H5N	C3H3N	C2H3N	C2H2N	C3H2	H2N	O	CH2	C
74 C2H4NO2	C9H9N	C9H6

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

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@@ Line 2: / Line 2: @@
 &&C11H13N2O2&&C11H10NO2&&C11H8NO&&C10H11N2&&C9H8NO&&C10H10N&&C9H10N&&C9H8N&&C8H8N&&C8H7N&&C9H7&&C6H7N&&C6H5O&&C7H7&&C7H5&&C6H5&&C2H4NO2&&
-&&C11H13N2O2: C11H10NO2 C11H8NO** C10H11N2 C10H10N** C9H10N C9H8N C8H8N C8H7N C6H5 C2H4NO2
+&&C11H13N2O2: C11H10NO2
-&&C11H10NO2: C11H8NO C10H10N C9H10N C9H8N C8H8N C8H7N C6H5 C2H4NO2*
+a
-&&C11H8NO: C9H8NO* C9H8N C8H8N C8H7N C6H5
+&&C11H13N2O2: C11H8NO**
-&&C10H11N2: C10H10N* C9H10N C9H8N C8H8N C8H7N C6H5
+&&C11H13N2O2: C10H11N2
+e
+&&C11H13N2O2: C10H10N**
+&&C11H13N2O2: C9H10N
+f
+&&C11H13N2O2: C9H8N
+f
+&&C11H13N2O2: C8H8N
+b
+&&C11H13N2O2: C8H7N
+b,rad.
+&&C11H13N2O2: C7H7**
+&&C11H13N2O2: C6H5
+g
+&&C11H13N2O2: C2H4NO2
+c
+&&C11H10NO2: C11H8NO C10H10N C9H10N C9H8N C8H8N C8H7N C7H7** C6H5 C2H4NO2*
+&&C11H8NO: C9H8NO* C9H8N C8H8N C8H7N C7H7** C6H5
+&&C10H11N2: C10H10N* C9H10N C9H8N C8H8N C8H7N C7H7** C6H5
 &&C9H8NO: C9H8N*
-&&C10H10N: C9H10N* C9H8N* C8H8N C8H7N C6H5
+&&C10H10N: C9H10N* C9H8N* C8H8N C8H7N C7H7** C6H5
-&&C9H10N: C9H8N* C8H8N* C8H7N* C9H7 C6H5
+&&C9H10N: C9H8N* C8H8N* C8H7N* C9H7 C7H7** C6H5
-&&C9H8N: C8H8N* C8H7N* C9H7* C6H5
+&&C9H8N: C8H8N* C8H7N* C9H7* C7H7** C6H5
-&&C8H8N: C8H7N* C6H5
+&&C8H8N: C8H7N* C7H7 C6H5
-&&C8H7N: C6H7N* C6H5
+&&C8H7N: C6H7N* C7H7 C6H5
 &&C9H7: C7H7*
 &&C6H5O: C6H5*

IDs and Links
MassBank	Trp
CAS	73-22-3
Keio ID	T003+

MassBank:KOX00582p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Trp

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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