Ojima:KOX00134n

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All Molecules KOX PR PBX COX

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Citrate

IDs and Links
MassBank	Citrate
CAS	77-92-9
Keio ID	C005-

Top 10 Similar Molecules of Citrate

Ranking	About scoring
M115+ Score:6.64	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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Pages Related to Peak C4H3O:   M115+

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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。

KOX00134n	191 C6H7O7	129 C5H5O4	111 C5H3O3	87 C3H3O3	67 C4H3O	59 C2H3O2
191 C6H7O7
129 C5H5O4	CH2O3
111 C5H3O3	CH4O4	H2O
87 C3H3O3	C3H4O4	C2H2O	C2
67 C4H3O	C2H4O6	CH2O3	CO2
59 C2H3O2	C4H4O5	C3H2O2	C3O	CO

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