Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Phosphocreatine

[edit] Top 10 Similar Molecules of Phosphocreatine

Ranking	About scoring
KOX00876p Score:8.72 KOX00684p Score:8.72 KOX00848p Score:6.63 KOX00903p Score:4.84 KOX00737p Score:4.84 KOX00683p Score:4.84 KOX00663p Score:4.84 KOX00662p Score:4.84 KOX00560p Score:4.84 KOX00499p Score:4.84	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 CH4N2O3P: KOX00848p Pages Related to Peak C3H8NO2: KOX00008p KOX00010p KOX00018p KOX00083p KOX00499p KOX00560p KOX00662p KOX00663p KOX00683p KOX00737p KOX00903p Pages Related to Peak C4H7N2: KOX00056p KOX00062p KOX00086p KOX00136p KOX00215p KOX00229p KOX00306p KOX00308p KOX00313p KOX00684p KOX00723p KOX00749p KOX00750p KOX00761p KOX00779p KOX00791p KOX00793p KOX00802p KOX00876p Pages Related to Peak H2O3P: KOX00045p KOX00075p KOX00185p KOX00211p KOX00218p KOX00256p KOX00447p KOX00489p KOX00496p KOX00573p KOX00736p KOX00741p KOX00774p KOX00821p KOX00833p KOX00838p KOX00842p KOX00907p Pages Related to Peak C3H5N2: KOX00077p KOX00111p KOX00145p KOX00174p KOX00197p KOX00315p KOX00427p KOX00429p KOX00596p KOX00631p KOX00684p KOX00721p KOX00746p KOX00759p KOX00780p KOX00845p KOX00876p KOX00891p

[edit] Annotations

Precursor	Product	Comments
C4H11N3O5P (212)	C4H8N2O5P (195)	-NH3
C4H11N3O5P (212)	C2H9N3O3P (154)	b
C4H11N3O5P (212)	CH4N2O3P (123)	d
C4H11N3O5P (212)	C3H8NO2 (90)	c
C4H11N3O5P (212)	H2O3P (81)	f

[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。

KOX00843p	212 C4H11N3O5P	195 C4H8N2O5P	177 C4H6N2O4P	154 C2H9N3O3P	138 CH5N3O3P	123 CH4N2O3P	90 C3H8NO2	83 C4H7N2	81 H2O3P	69 C3H5N2
212 C4H11N3O5P
195 C4H8N2O5P	H3N
177 C4H6N2O4P	H5NO	H2O
154 C2H9N3O3P	C2H2O2
138 CH5N3O3P	C3H6O2			CH4
123 CH4N2O3P	C3H7NO2	C3H4O2	C3H2O	CH5N	HN
90 C3H8NO2	CH3N2O3P	CNO3P
83 C4H7N2	H4NO5P	HO5P
81 H2O3P	C4H9N3O2	C4H6N2O2	C4H4N2O	C2H7N3	CH3N3	CH2N2
69 C3H5N2	CH6NO5P	CH3O5P	CHO4P					CH2

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 &&C4H11N3O5P&&C4H8N2O5P&&C4H6N2O4P&&C2H9N3O3P&&CH5N3O3P&&CH4N2O3P&&C3H8NO2&&C4H7N2&&H2O3P&&C3H5N2&&
-&&C4H11N3O5P: C4H8N2O5P C2H9N3O3P CH4N2O3P C3H8NO2 H2O3P
+&&C4H11N3O5P: C4H8N2O5P
-&&C4H8N2O5P: C4H6N2O4P C3H8NO2 H2O3P
+-NH3
-&&C4H6N2O4P: H2O3P
+&&C4H11N3O5P: C4H6N2O4P**
+&&C4H11N3O5P: C2H9N3O3P
+b
+&&C4H11N3O5P: CH5N3O3P**
+&&C4H11N3O5P: CH4N2O3P
+d
+&&C4H11N3O5P: C3H8NO2
+c
+&&C4H11N3O5P: H2O3P
+f
+&&C4H11N3O5P: C3H5N2**
+&&C4H8N2O5P: C4H6N2O4P CH4N2O3P* C3H8NO2 H2O3P C3H5N2*
+&&C4H6N2O4P: CH4N2O3P* H2O3P C3H5N2*
 &&C2H9N3O3P: CH5N3O3P CH4N2O3P H2O3P
-&&CH5N3O3P: H2O3P
+&&CH5N3O3P: CH4N2O3P* H2O3P
 &&CH4N2O3P: H2O3P
+&&C4H7N2: C3H5N2*
 }}

IDs and Links
MassBank	Phosphocreatine
CAS	67-07-2
Keio ID	P084+

MassBank:KOX00843p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Phosphocreatine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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