Ojima:PR100229p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Kaempferide

IDs and Links
MassBank	Kaempferide
CAS	491-54-3
Keio ID

Top 10 Similar Molecules of Kaempferide

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。

PR100229p	301 C16H13O6	286 C15H10O6	258 C14H10O5	230 C13H10O4	229 C13H9O4	201 C12H9O3	153 C7H5O4
301 C16H13O6
286 C15H10O6	CH3
258 C14H10O5	C2H3O	CO
230 C13H10O4	C3H3O2	C2O2	CO
229 C13H9O4	C3H4O2	C2HO2	CHO	H
201 C12H9O3	C4H4O3	C3HO3	C2HO2	CHO	CO
153 C7H5O4	C9H8O2	C8H5O2	C7H5O	C6H5	C6H4

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