Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Prowl (TM)

[edit] Top 10 Similar Molecules of Prowl (TM)

Ranking	About scoring
KOX00302p Score:19.98 KOX00863p Score:14.45 KOX00788p Score:14.45 KOX00032p Score:14.45 KOX00760p Score:13.26 KOX00831p Score:12.95 KOX00118p Score:12.95 KOX00877p Score:12.66 KOX00693p Score:12.26 KOX00912p Score:10.61	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 C8H7N2: KOX00713p KOX00817p KOX00877p Pages Related to Peak C7H7N2: KOX00118p KOX00831p Pages Related to Peak C6H5N2: KOX00302p KOX00690p KOX00693p KOX00760p KOX00809p 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 KOX00854p KOX00863p KOX00877p KOX00886p Pages Related to Peak C6H5N: KOX00805p 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 KOX00823p KOX00825p KOX00840p KOX00863p KOX00911p KOX00912p 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 KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p Pages Related to Peak C4H5: KOX00006p KOX00032p KOX00079p KOX00124p KOX00138p KOX00241p KOX00245p KOX00292p KOX00302p KOX00422p KOX00462p KOX00474p KOX00487p KOX00491p KOX00672p KOX00691p KOX00719p KOX00720p KOX00736p KOX00752p KOX00757p KOX00760p KOX00775p KOX00784p KOX00788p KOX00810p KOX00811p KOX00817p KOX00825p KOX00863p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C13H20N3O4 (282)	C8H10N3O4 (212)	a
C8H10N3O4 (212)	C8H8N3O3 (194)	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。

KOX00853p	282 C13H20N3O4	212 C8H10N3O4	194 C8H8N3O3	178 C8H8N3O2	131 C8H7N2	119 C7H7N2	105 C6H5N2	92 C6H6N	91 C6H5N	80 C5H6N	65 C5H5	53 C4H5
282 C13H20N3O4
212 C8H10N3O4	C5H10
194 C8H8N3O3	C5H12O	H2O
178 C8H8N3O2	C5H12O2	H2O2	O
131 C8H7N2	C5H13NO4	H3NO4	HNO3	HNO2
119 C7H7N2	C6H13NO4	CH3NO4	CHNO3	CHNO2	C
105 C6H5N2	C7H15NO4	C2H5NO4	C2H3NO3	C2H3NO2	C2H2	CH2
92 C6H6N	C7H14N2O4	C2H4N2O4	C2H2N2O3	C2H2N2O2	C2HN	CHN
91 C6H5N	C7H15N2O4	C2H5N2O4	C2H3N2O3	C2H3N2O2	C2H2N	CH2N	N	H
80 C5H6N	C8H14N2O4	C3H4N2O4	C3H2N2O3	C3H2N2O2	C3HN	C2HN		C
65 C5H5	C8H15N3O4	C3H5N3O4	C3H3N3O3	C3H3N3O2	C3H2N2	C2H2N2	CN2	CHN	CN	HN
53 C4H5	C9H15N3O4	C4H5N3O4	C4H3N3O3	C4H3N3O2	C4H2N2	C3H2N2	C2N2	C2HN	C2N	CHN	C

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

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@@ Line 2: / Line 2: @@
 &&C13H20N3O4&&C8H10N3O4&&C8H8N3O3&&C8H8N3O2&&C8H7N2&&C7H7N2&&C6H5N2&&C6H6N&&C6H5N&&C5H6N&&C5H5&&C4H5&&
-&&C13H20N3O4: C8H10N3O4 C8H8N3O3** C8H8N3O2**
+&&C13H20N3O4: C8H10N3O4
-&&C8H10N3O4: C8H8N3O3 C8H8N3O2**
+a
+&&C13H20N3O4: C8H8N3O3** C8H8N3O2**
+&&C8H10N3O4: C8H8N3O3
+IT
+&&C8H10N3O4: C8H8N3O2**
 &&C8H8N3O3: C8H8N3O2*
 &&C8H7N2: C7H7N2*

IDs and Links
MassBank	Prowl (TM)
CAS	40487-42-1
Keio ID	P183+

MassBank:KOX00853p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Prowl (TM)

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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