Ojima:KOX00594n

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Tartarate

IDs and Links
MassBank	Tartarate
CAS	87-69-4
Keio ID	T023-

Top 10 Similar Molecules of Tartarate

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。

KOX00594n	149 C4H5O6	105 C3H5O4	87 C3H3O3	73 C2HO3	59 C2H3O2	45 CHO2
149 C4H5O6
105 C3H5O4	CO2
87 C3H3O3	CH2O3	H2O
73 C2HO3	C2H4O3	CH4O	CH2
59 C2H3O2	C2H2O4	CH2O2	CO
45 CHO2	C3H4O4	C2H4O2	C2H2O	CO	CH2

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