Ojima:PR100935n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Scopoletin

IDs and Links
MassBank	Scopoletin
CAS	92-61-5
Keio ID

Top 10 Similar Molecules of Scopoletin

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。

PR100935n	191 C10H7O4	176 C9H4O4	148 C8H4O3	120 C7H4O2	104 C7H4O
191 C10H7O4
176 C9H4O4	CH3
148 C8H4O3	C2H3O	CO
120 C7H4O2	C3H3O2	C2O2	CO
104 C7H4O	C3H3O3	C2O3	CO2	O

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