Ojima:KOX00179n

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All Molecules KOX PR PBX COX

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Neutral Loss

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Cyclohexanecarboxylate

IDs and Links
MassBank	Cyclohexanecarboxylate
CAS	98-89-5
Keio ID	C180-

Top 10 Similar Molecules of Cyclohexanecarboxylate

Ranking	About scoring
P059+ Score:8.89 N044+ Score:6.73 T031+ Score:6.73 S041+ Score:6.73 N016+ Score:6.73 M101+ Score:6.73 K005+ Score:6.73 D180+ Score:6.73 D178+ Score:6.73 A036+ Score:6.73	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。

KOX00179n	127 C7H11O2	94 C6H6O	89 C7H5	77 C6H5	59 C2H3O2
127 C7H11O2
94 C6H6O	CH5O
89 C7H5	H6O2
77 C6H5	CH6O2	HO	C
59 C2H3O2	C5H8

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