Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Butyl pyridine-2-carboxylate

[edit] Top 10 Similar Molecules of Butyl pyridine-2-carboxylate

Ranking	About scoring
KOX00826p Score:25.3 KOX00531p Score:22.25 KOX00462p Score:21.23 KOX00847p Score:19.76 KOX00810p Score:19.76 KOX00757p Score:16.28 KOX00760p Score:15.99 KOX00840p Score:14.51 KOX00745p Score:14.51 KOX00739p Score:13.89	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 C6H6NO2: KOX00124p KOX00462p KOX00531p KOX00757p KOX00826p Pages Related to Peak C6H4NO: KOX00462p KOX00531p KOX00760p KOX00810p KOX00826p KOX00847p KOX00900p Pages Related to Peak C5H6NO: KOX00067p KOX00102p KOX00124p KOX00138p KOX00288p KOX00292p KOX00531p KOX00547p KOX00642p KOX00736p KOX00739p KOX00740p KOX00744p KOX00745p KOX00757p KOX00760p KOX00788p KOX00794p KOX00795p KOX00800p KOX00810p KOX00826p KOX00840p KOX00847p KOX00886p Pages Related to Peak C4H9O2: KOX00343p KOX00705p KOX00712p KOX00739p KOX00740p KOX00794p Pages Related to Peak C5H4N: KOX00034p KOX00231p KOX00317p KOX00325p KOX00388p KOX00422p KOX00462p KOX00491p KOX00510p KOX00520p KOX00531p KOX00536p KOX00642p KOX00647p KOX00657p KOX00690p KOX00693p KOX00697p KOX00745p KOX00749p KOX00754p KOX00757p KOX00760p KOX00788p KOX00789p KOX00800p KOX00809p KOX00810p KOX00811p KOX00817p KOX00826p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00860p KOX00886p KOX00900p KOX00912p Pages Related to Peak C4H9: KOX00213p KOX00272p KOX00306p KOX00401p KOX00471p KOX00536p KOX00616p KOX00623p KOX00633p KOX00672p KOX00702p KOX00705p KOX00739p KOX00819p KOX00851p KOX00892p KOX00909p Pages Related to Peak C3H2N: KOX00032p KOX00086p KOX00111p KOX00118p KOX00145p KOX00302p KOX00317p KOX00443p KOX00451p KOX00462p KOX00531p KOX00620p KOX00690p KOX00724p KOX00732p KOX00745p KOX00746p KOX00750p KOX00756p KOX00780p KOX00799p KOX00802p KOX00809p KOX00810p KOX00824p KOX00826p KOX00829p KOX00832p KOX00840p KOX00841p KOX00845p KOX00846p KOX00847p KOX00859p Pages Related to Peak C4H3: KOX00006p KOX00034p KOX00041p KOX00073p KOX00118p KOX00189p KOX00221p KOX00231p KOX00236p KOX00317p KOX00328p KOX00359p KOX00371p KOX00374p KOX00379p KOX00381p KOX00456p KOX00462p KOX00471p KOX00485p KOX00501p KOX00510p KOX00514p KOX00580p KOX00628p KOX00638p KOX00643p KOX00645p KOX00665p KOX00670p KOX00671p KOX00673p KOX00674p KOX00690p KOX00694p KOX00697p KOX00713p KOX00719p KOX00720p KOX00725p KOX00738p KOX00745p KOX00754p KOX00757p KOX00760p KOX00763p KOX00788p KOX00789p KOX00790p KOX00797p KOX00807p KOX00809p KOX00810p KOX00811p KOX00814p KOX00825p KOX00826p KOX00828p KOX00831p KOX00832p KOX00840p KOX00847p KOX00859p KOX00860p KOX00866p KOX00870p KOX00872p KOX00879p KOX00886p KOX00900p KOX00912p

[edit] Annotations

Precursor	Product	Comments
C10H14NO2 (180)	C6H6NO2 (124)	b
C10H14NO2 (180)	C4H9 (57)	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。

KOX00730p	180 C10H14NO2	124 C6H6NO2	106 C6H4NO	96 C5H6NO	89 C4H9O2	78 C5H4N	57 C4H9	52 C3H2N	51 C4H3
180 C10H14NO2
124 C6H6NO2	C4H8
106 C6H4NO	C4H10O	H2O
96 C5H6NO	C5H8O	CO
89 C4H9O2	C6H5N
78 C5H4N	C5H10O2	CH2O2	CO	H2O
57 C4H9	C6H5NO2				O2
52 C3H2N	C7H12O2	C3H4O2	C3H2O	C2H4O		C2H2
51 C4H3	C6H11NO2	C2H3NO2	C2HNO	CH3NO	H6O2	CHN	H6

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 &&C10H14NO2&&C6H6NO2&&C6H4NO&&C5H6NO&&C4H9O2&&C5H4N&&C4H9&&C3H2N&&C4H3&&
-&&C10H14NO2: C6H6NO2 C6H4NO** C5H6NO** C5H4N** C4H9 C3H2N** C4H3**
+&&C10H14NO2: C6H6NO2
+b
+&&C10H14NO2: C6H4NO** C5H6NO** C5H4N**
+&&C10H14NO2: C4H9
+d
+&&C10H14NO2: C3H2N** C4H3**
 &&C6H6NO2: C6H4NO C5H6NO C5H4N C3H2N C4H3
 &&C6H4NO: C5H4N C3H2N C4H3

IDs and Links
MassBank	Butyl pyridine-2-carboxylate
CAS
Keio ID	F013+

MassBank:KOX00730p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Butyl pyridine-2-carboxylate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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