Ojima:KOX00025n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Adenylosuccinate

IDs and Links
MassBank	Adenylosuccinate
CAS	19046-78-7
Keio ID	A037-

Top 10 Similar Molecules of Adenylosuccinate

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。

KOX00025n	462 C14H17N5O11P	418 C13H17N5O9P	364 C14H14N5O7	346 C10H13N5O7P	250 C9H8N5O4	134 C5H4N5	115 C4H3O4	97 H2O4P	79 O3P
462 C14H17N5O11P
418 C13H17N5O9P	CO2
364 C14H14N5O7	H3O4P
346 C10H13N5O7P	C4H4O4	C3H4O2
250 C9H8N5O4	C5H9O7P	C4H9O5P	C5H6O3	CH5O3P
134 C5H4N5	C9H13O11P	C8H13O9P	C9H10O7	C5H9O7P	C4H4O4
115 C4H3O4	C10H14N5O7P	C9H14N5O5P	C10H11N5O3	C6H10N5O3P	C5H5N5
97 H2O4P	C14H15N5O7	C13H15N5O5		C10H11N5O3
79 O3P	C14H17N5O8	C13H17N5O6		C10H13N5O4				H2O

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