Ojima:PR100528n

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3'-Dephosphocoenzyme A

IDs and Links
MassBank	3'-Dephosphocoenzyme A
CAS	3633-59-8
Keio ID

Top 10 Similar Molecules of 3'-Dephosphocoenzyme A

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 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。

PR100528n	686 C21H34N7O13P2S	419 C11H21N2O9P2S	339 C11H20N2O6PS	97 H2O4P	79 O3P
686 C21H34N7O13P2S
419 C11H21N2O9P2S	C10H13N5O4
339 C11H20N2O6PS	C10H14N5O7P	HO3P
97 H2O4P	C21H32N7O9PS	C11H19N2O5PS	C11H18N2O2S
79 O3P	C21H34N7O10PS	C11H21N2O6PS	C11H20N2O3S	H2O

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