Ojima:PR100532n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adenosine 5'-diphospho-glucose

IDs and Links
MassBank	Adenosine 5'-diphospho-glucose
CAS	2140-58-1
Keio ID

Top 10 Similar Molecules of Adenosine 5'-diphospho-glucose

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。

PR100532n	588 C16H24N5O15P2	346 C10H13N5O7P	241 C6H10O8P	97 H2O4P	79 O3P
588 C16H24N5O15P2
346 C10H13N5O7P	C6H11O8P
241 C6H10O8P	C10H14N5O7P
97 H2O4P	C16H22N5O11P	C10H11N5O3	C6H8O4
79 O3P	C16H24N5O12P	C10H13N5O4	C6H10O5	H2O

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