Ojima:PR100514n

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All Molecules KOX PR PBX COX

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Neutral Loss

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Adenosine 5'-diphosphate

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MassBank	Adenosine 5'-diphosphate
CAS	58-64-0
Keio ID

Top 10 Similar Molecules of Adenosine 5'-diphosphate

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	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

[show] 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。

[hide] PR100514n	426 C10H14N5O10P2	159 HO6P2	134 C5H4N5	79 O3P
426 C10H14N5O10P2
159 HO6P2	C10H13N5O4
134 C5H4N5	C5H10O10P2
79 O3P	C10H14N5O7P	HO3P

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