Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

6-Hydroxynicotinate

[edit] Top 10 Similar Molecules of 6-Hydroxynicotinate

Ranking	About scoring
KOX00840p Score:22.9 KOX00531p Score:19.85 KOX00788p Score:11.8 KOX00859p Score:10.44 KOX00847p Score:10.44 KOX00832p Score:10.44 KOX00826p Score:10.44 KOX00810p Score:10.44 KOX00809p Score:10.44 KOX00745p Score:10.44	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 C6H4NO2: KOX00531p KOX00840p Pages Related to Peak C5H3O2: KOX00855p Pages Related to Peak C5H4NO: KOX00531p KOX00840p Pages Related to Peak C5H4N: KOX00034p KOX00231p KOX00325p KOX00388p KOX00422p KOX00462p KOX00491p KOX00510p KOX00520p KOX00531p KOX00536p KOX00642p KOX00647p KOX00657p KOX00690p KOX00693p KOX00697p KOX00730p 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 C4H4N: KOX00056p KOX00308p KOX00388p KOX00467p KOX00620p KOX00721p KOX00788p KOX00823p Pages Related to Peak C3H2N: KOX00032p KOX00086p KOX00111p KOX00118p KOX00145p KOX00302p KOX00443p KOX00451p KOX00462p KOX00531p KOX00620p KOX00690p KOX00724p KOX00730p 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 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 KOX00730p 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
C6H6NO3 (140)	C6H4NO2 (122)	-H2O
C6H6NO3 (140)	C5H3O2 (95)	d
C6H6NO3 (140)	C5H4NO (94)	a

[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。

KOX00317p	140 C6H6NO3	122 C6H4NO2	95 C5H3O2	94 C5H4NO	78 C5H4N	66 C4H4N	52 C3H2N	51 C4H3
140 C6H6NO3
122 C6H4NO2	H2O
95 C5H3O2	CH3NO	CHN
94 C5H4NO	CH2O2	CO
78 C5H4N	CH2O3	CO2		O
66 C4H4N	C2H2O3	C2O2		CO	C
52 C3H2N	C3H4O3	C3H2O2		C2H2O	C2H2	CH2
51 C4H3	C2H3NO3	C2HNO2	CO2	CHNO	CHN	HN

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IDs and Links
MassBank	6-Hydroxynicotinate
CAS	5006-66-6
Keio ID	H015+

MassBank:KOX00317p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of 6-Hydroxynicotinate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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