Ojima:PR100574n

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Isobutyryl coenzyme A

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MassBank	Isobutyryl coenzyme A
CAS	15621-60-0
Keio ID

Top 10 Similar Molecules of Isobutyryl coenzyme A

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。

PR100574n	836 C25H41N7O17P3S	756 C25H40N7O14P2S	507 C15H29N2O11P2S	489 C15H27N2O10P2S	426 C10H14N5O10P2	409 C15H26N2O7PS	408 C10H12N5O9P2	159 HO6P2	134 C5H4N5	79 O3P
836 C25H41N7O17P3S
756 C25H40N7O14P2S	HO3P
507 C15H29N2O11P2S	C10H12N5O6P	C10H11N5O3
489 C15H27N2O10P2S	C10H14N5O7P	C10H13N5O4	H2O
426 C10H14N5O10P2	C15H27N2O7PS	C15H26N2O4S
409 C15H26N2O7PS	C10H15N5O10P2	C10H14N5O7P	H3O4P	HO3P
408 C10H12N5O9P2	C15H29N2O8PS	C15H28N2O5S			H2O
159 HO6P2	C25H40N7O11PS	C25H39N7O8S	C15H28N2O5S	C15H26N2O4S	C10H13N5O4		C10H11N5O3
134 C5H4N5	C20H37N2O17P3S	C20H36N2O14P2S			C5H10O10P2		C5H8O9P2
79 O3P	C25H41N7O14P2S	C25H40N7O11PS	C15H29N2O8PS	C15H27N2O7PS	C10H14N5O7P	C15H26N2O4S	C10H12N5O6P	HO3P

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