Ojima:PR100744n

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Formononetin

IDs and Links
MassBank	Formononetin
CAS	485-72-3
Keio ID

Top 10 Similar Molecules of Formononetin

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。

PR100744n	267 C16H11O4	252 C15H8O4	251 C15H7O4	223 C14H7O3	195 C13H7O2	135 C7H3O3	91 C6H3O
267 C16H11O4
252 C15H8O4	CH3
251 C15H7O4	CH4	H
223 C14H7O3	C2H4O	CHO	CO
195 C13H7O2	C3H4O2	C2HO2	C2O2	CO
135 C7H3O3	C9H8O	C8H5O	C8H4O	C7H4
91 C6H3O	C10H8O3	C9H5O3	C9H4O3	C8H4O2	C7H4O	CO2

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