Ojima:PR100724n

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Phosphoenolpyruvic Acid

IDs and Links
MassBank	Phosphoenolpyruvic Acid
CAS	138-08-9
Keio ID

Top 10 Similar Molecules of Phosphoenolpyruvic Acid

Ranking	About scoring
	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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Precursor	Product	Comments
(0)	(0)	KOX00488

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。

PR100724n	167 C3H4O6P	149 C3H2O5P	79 O3P
167 C3H4O6P
149 C3H2O5P	H2O
79 O3P	C3H4O3	C3H2O2

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