Ojima:PR100932n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Deoxycholate

IDs and Links
MassBank	Deoxycholate
CAS	83-44-3
Keio ID

Top 10 Similar Molecules of Deoxycholate

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。

PR100932n	391 C24H39O4	355 C24H35O2	345 C23H37O2	343 C23H35O2	329 C23H37O	327 C23H35O
391 C24H39O4
355 C24H35O2	H4O2
345 C23H37O2	CH2O2
343 C23H35O2	CH4O2	C	H2
329 C23H37O	CH2O3		O
327 C23H35O	CH4O3	CO	H2O	O	H2

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