Ojima:PR100982n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Sulforaphene

IDs and Links
MassBank	S-Sulforaphene
CAS	592-95-0
Keio ID

Top 10 Similar Molecules of S-Sulforaphene

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。

PR100982n	174 C6H8NOS2	159 C5H5NOS2	128 C5H6NOS	113 C4H3NOS	110 C5H4NS
174 C6H8NOS2
159 C5H5NOS2	CH3
128 C5H6NOS	CH2S
113 C4H3NOS	C2H5S	CH2S	CH3
110 C5H4NS	CH4OS	HOS	H2O

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