Ojima:KOX00193n

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All Molecules KOX PR PBX COX

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Neutral Loss

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3,5-Dinitrosalicylate

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MassBank	3,5-Dinitrosalicylate
CAS	609-99-4
Keio ID	D050-

Top 10 Similar Molecules of 3,5-Dinitrosalicylate

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。

KOX00193n	229 C7H5N2O7	183 C6H3N2O5	123 C6H3O3	109 C5H3NO2	69 C3HO2
229 C7H5N2O7
183 C6H3N2O5	CH2O2
123 C6H3O3	CH2N2O4	N2O2
109 C5H3NO2	C2H2NO5	CNO3
69 C3HO2	C4H4N2O5	C3H2N2O3	C3H2O	C2H2N

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