Ojima:KOX00274n

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Gluconate

IDs and Links
MassBank	Gluconate
CAS	526-95-4
Keio ID	G031-

Top 10 Similar Molecules of Gluconate

Ranking	About scoring
F025+ Score:6.64	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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Pages Related to Peak C4H3O3:   F025+

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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。

KOX00274n	195 C6H11O7	129 C5H5O4	99 C4H3O3	75 C2H3O3	59 C2H3O2	45 CHO2
195 C6H11O7
129 C5H5O4	CH6O3
99 C4H3O3	C2H8O4	CH2O
75 C2H3O3	C4H8O4	C3H2O	C2
59 C2H3O2	C4H8O5	C3H2O2	C2O	O
45 CHO2	C5H10O5	C4H4O2	C3H2O	CH2O	CH2

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