Ojima:KNA00750n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
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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。

KNA00750n	275 C6H12O10P	257 C6H10O9P	239 C6H8O8P	199 C4H8O7P	177 C6H9O6	159 C6H7O5	129 C5H5O4	97 H2O4P	79 O3P
275 C6H12O10P
257 C6H10O9P	H2O
239 C6H8O8P	H4O2	H2O
199 C4H8O7P	C2H4O3	C2H2O2	C2O
177 C6H9O6	H3O4P	HO3P
159 C6H7O5	H5O5P	H3O4P	HO3P		H2O
129 C5H5O4	CH7O6P	CH5O5P	CH3O4P		CH4O2	CH2O
97 H2O4P	C6H10O6	C6H8O5	C6H6O4	C4H6O3
79 O3P	C6H12O7	C6H10O6	C6H8O5	C4H8O4				H2O

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