Ojima:KOX00612n

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Taurolithocholate

IDs and Links
MassBank	Taurolithocholate
CAS
Keio ID	T072-

Top 10 Similar Molecules of Taurolithocholate

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。

KOX00612n	554 C26H36NO8S2	124 C2H6NO3S	107 C2H3O3S	80 O3S
554 C26H36NO8S2
124 C2H6NO3S	C24H30O5S
107 C2H3O3S	C24H33NO5S	H3N
80 O3S	C26H36NO5S	C2H6N	C2H3

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