Ojima:KOX00115n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Benzyl succinate

IDs and Links
MassBank	Benzyl succinate
CAS	884-33-3
Keio ID	B005-

Top 10 Similar Molecules of Benzyl succinate

Ranking	About scoring
D030+ Score:3.27 T044+ Score:3.27 T032+ Score:3.27 T031+ Score:3.27 T030+ Score:3.27 T024+ Score:3.27 T008+ Score:3.27 S058+ Score:3.27 Q001+ Score:3.27 P206+ Score:3.27	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。

KOX00115n	207 C11H11O4	163 C10H11O2	98 C4H2O3	91 C7H7	59 C2H3O2
207 C11H11O4
163 C10H11O2	CO2
98 C4H2O3	C7H9O
91 C7H7	C4H4O4	C3H4O2
59 C2H3O2	C9H8O2	C8H8

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