MassBank:KOX00843p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phosphocreatine

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

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。

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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

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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