Ojima:KNA00825n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
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Keio ID

Top 10 Similar Molecules of

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。

KNA00825n	426 C10H14N5O10P2	408 C10H12N5O9P2	328 C10H11N5O6P	291 C5H9O10P2	159 HO6P2	134 C5H4N5
426 C10H14N5O10P2
408 C10H12N5O9P2	H2O
328 C10H11N5O6P	H3O4P	HO3P
291 C5H9O10P2	C5H5N5
159 HO6P2	C10H13N5O4	C10H11N5O3		C5H8O4
134 C5H4N5	C5H10O10P2	C5H8O9P2	C5H7O6P

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