Ojima:KOX00132n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Bumetanide

IDs and Links
MassBank	Bumetanide
CAS
Keio ID	B093-

Top 10 Similar Molecules of Bumetanide

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。

KOX00132n	359 C17H15N2O5S	319 C16H19N2O3S	271 C11H15N2O4S	262 C12H10N2O3S	80 H2NO2S
359 C17H15N2O5S
319 C16H19N2O3S
271 C11H15N2O4S	C6O
262 C12H10N2O3S	C5H5O2	C4H9
80 H2NO2S	C17H13NO3	C16H17NO	C11H13NO2	C12H8NO

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