Ojima:KOX00192n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Dodecanedioate

IDs and Links
MassBank	Dodecanedioate
CAS	693-23-2
Keio ID	D049-

Top 10 Similar Molecules of Dodecanedioate

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。

KOX00192n	229 C12H21O4	211 C12H19O3	185 C11H21O2	167 C11H19O	59 C2H3O2
229 C12H21O4
211 C12H19O3	H2O
185 C11H21O2	CO2
167 C11H19O	CH2O3	CO2	H2O
59 C2H3O2	C10H18O2	C10H16O	C9H18

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