Ojima:PR100605n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sebacic acid

IDs and Links
MassBank	Sebacic acid
CAS	111-20-6
Keio ID

Top 10 Similar Molecules of Sebacic acid

Ranking	About scoring
S013+ Score:6.63	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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Page list for each fragment
Pages Related to Peak C7H11O:   S013+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00562

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。

PR100605n	201 C10H17O4	183 C10H15O3	139 C9H15O	111 C7H11O
201 C10H17O4
183 C10H15O3	H2O
139 C9H15O	CH2O3	CO2
111 C7H11O	C3H6O3	C3H4O2	C2H4

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