Ojima:PR100809n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ononin

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MassBank	Ononin
CAS	486-62-4
Keio ID

Top 10 Similar Molecules of Ononin

[show] 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

[show] 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。

[hide] PR100809n	429 C22H21O9	267 C17H15O3	252 C16H12O3	251 C16H11O3	223 C15H11O2
429 C22H21O9
267 C17H15O3	C5H6O6
252 C16H12O3	C6H9O6	CH3
251 C16H11O3	C6H10O6	CH4	H
223 C15H11O2	C7H10O7	C2H4O	CHO	CO

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