Ojima:PR100642n

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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。

PR100642n	299 C16H11O6	284 C15H8O6	164 C8H4O4	163 C8H3O4	151 C7H3O4	132 C8H4O2	107 C6H3O2	83 C4H3O2
299 C16H11O6
284 C15H8O6	CH3
164 C8H4O4	C8H7O2	C7H4O2
163 C8H3O4	C8H8O2	C7H5O2	H
151 C7H3O4	C9H8O2	C8H5O2	CH	C
132 C8H4O2	C8H7O4	C7H4O4	O2
107 C6H3O2	C10H8O4	C9H5O4	C2HO2	C2O2	CO2	C2H
83 C4H3O2	C12H8O4	C11H5O4	C4HO2	C4O2	C3O2	C4H	C2

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